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KRN383

CAT: 0013-GTR19212346-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212346-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KRN383
CAS Number
919767-02-5
Field of Research
Cardiovascular Research, Signal Transduction
Smiles
O (C=1C2=C (C=C (O) C (OC) =C2) N=CC1) C3CC=C (NC (N) =O) C=C3
Molecular Formula
C17H17N3O4
Molecular Weight
327.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[4-(7-Hydroxy-6-methoxyquinolin-4-yl)oxycyclohexa-1,5-dien-1-yl]urea
CAS Number919767-02-5
PubChem CID154730699
IUPAC Name[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxycyclohexa-1,5-dien-1-yl]urea
Molecular FormulaC17H17N3O4
Molecular Weight327.33
XLogP1.6
Topological Polar Surface Area107
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity522
SMILES
COC1=CC2=C(C=CN=C2C=C1O)OC3CC=C(C=C3)NC(=O)N
InChI
InChI=1S/C17H17N3O4/c1-23-16-8-12-13(9-14(16)21)19-7-6-15(12)24-11-4-2-10(3-5-11)20-17(18)22/h2-4,6-9,11,21H,5H2,1H3,(H3,18,20,22)
InChIKey
FDEJMZJEHJWMRY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4-(7-Hydroxy-6-methoxyquinolin-4-yl)oxycyclohexa-1,5-dien-1-yl]urea
CAS: 919767-02-5
CID: 154730699
Formula: C17H17N3O4
MW: 327.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.33
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass327.12190603
Monoisotopic Mass327.12190603
Topological Polar Surface Area107 Ų
Heavy Atom Count24
Formal Charge0
Complexity522
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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