Products for Research Use Only
RegisterLogin

Compound EN300-311947

CAT: 0931-TPL0581-01Size: 200 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TPL0581-01Size:200 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1133115-89-5
Bioactivity
Compound EN300-311947, with CAS No. 1133115-89-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound EN300-311947 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
OC1CCN(CC1)c1ccc2ncccc2c1[N+]([O-])=O
Molecular Formula
C14H15N3O3
Molecular Weight
273.2872
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(5-Nitroquinolin-6-YL)piperidin-4-OL
CAS Number1133115-89-5
PubChem CID46739196
IUPAC Name1-(5-nitroquinolin-6-yl)piperidin-4-ol
Molecular FormulaC14H15N3O3
Molecular Weight273.29
XLogP2
Topological Polar Surface Area82.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity352
SMILES
C1CN(CCC1O)C2=C(C3=C(C=C2)N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H15N3O3/c18-10-5-8-16(9-6-10)13-4-3-12-11(2-1-7-15-12)14(13)17(19)20/h1-4,7,10,18H,5-6,8-9H2
InChIKey
SHUXRLNHGBRMPN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(5-Nitroquinolin-6-YL)piperidin-4-OL
CAS: 1133115-89-5
CID: 46739196
Formula: C14H15N3O3
MW: 273.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.29
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass273.11134135
Monoisotopic Mass273.11134135
Topological Polar Surface Area82.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity352
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TPL0629-01Compound EN300-633485
TPL0609-01Compound EN300-17566
TPL0569-01Compound EN300-31407
TPL0564-01Compound EN300-40916
TPL0559-01Compound EN300-6472184
TPL0555-01Compound EN300-11249
TPL0536-01Compound EN300-39700
TPL0524-01Compound EN300-129161
TPL0512-01Compound EN300-96594
TPL0456-01Compound EN300-127253

Alternative Products

CatalogName
GTR19280022-01Compound EN300-88285
GTR19280020-01Compound EN300-06260
GTR19280017-01Compound EN300-24646
GTR19280015-01Compound EN300-62851
GTR19270227-01Compound EN300-24520
GTR19270223-01Compound EN300-113927
GTR19270222-01Compound EN300-219925
GTR19270221-01Compound EN300-365455
GTR19270233-01Compound EN300-1724756
GTR19280023-01Compound EN300-121824

Popular Products