Products for Research Use Only

MF 5137

CAT: 0013-GTR19205410-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19205410-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
MF 5137
CAS Number
148927-23-5
Field of Research
Infectious Disease & Virology
Smiles
CC1=C2N (C=C (C (O) =O) C (=O) C2=CC (N) =C1N3CC=4C (CC3) =CC=CC4) C5CC5
Molecular Formula
C23H23N3O3
Molecular Weight
389.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

MF-5137
CAS Number148927-23-5
PubChem CID460150
IUPAC Name6-amino-1-cyclopropyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC23H23N3O3
Molecular Weight389.4
XLogP3.9
Topological Polar Surface Area86.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity718
SMILES
CC1=C2C(=CC(=C1N3CCC4=CC=CC=C4C3)N)C(=O)C(=CN2C5CC5)C(=O)O
InChI
InChI=1S/C23H23N3O3/c1-13-20-17(22(27)18(23(28)29)12-26(20)16-6-7-16)10-19(24)21(13)25-9-8-14-4-2-3-5-15(14)11-25/h2-5,10,12,16H,6-9,11,24H2,1H3,(H,28,29)
InChIKey
LLVLMYRWABCVEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MF-5137
CAS: 148927-23-5
CID: 460150
Formula: C23H23N3O3
MW: 389.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight389.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass389.17394160
Monoisotopic Mass389.17394160
Topological Polar Surface Area86.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity718
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