N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-2-carboxamide

C24H23ClN4O3 — CID 139958335

IUPACN-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-2-carboxamide
SMILESCc1onc2c1c(=O)n(C1CCCC(CNC(=O)c3ccccn3)C1)c1cccc(Cl)c21
InChIInChI=1S/C24H23ClN4O3/c1-14-20-22(28-32-14)21-17(25)8-5-10-19(21)29(24(20)31)16-7-4-6-15(12-16)13-27-23(30)18-9-2-3-11-26-18/h2-3,5,8-11,15-16H,4,6-7,12-13H2,1H3,(H,27,30)
InChIKeyWJKZOMSOWGSPMH-UHFFFAOYSA-N
MW450.93 g/mol
LogP4.66
Rot. Bonds4

About N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-2-carboxamide

N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-2-carboxamide (PubChem CID 139958335) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-2-carboxamide
PubChem CID139958335
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC NameN-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-2-carboxamide
SMILESCc1onc2c1c(=O)n(C1CCCC(CNC(=O)c3ccccn3)C1)c1cccc(Cl)c21
InChIInChI=1S/C24H23ClN4O3/c1-14-20-22(28-32-14)21-17(25)8-5-10-19(21)29(24(20)31)16-7-4-6-15(12-16)13-27-23(30)18-9-2-3-11-26-18/h2-3,5,8-11,15-16H,4,6-7,12-13H2,1H3,(H,27,30)
InChIKeyWJKZOMSOWGSPMH-UHFFFAOYSA-N
XLogP4.66
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(1R,3S)-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]-1,2-oxazole-5-carboxamide
CID 139958260
N-[[(1S,3R)-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]-2-thiophen-2-ylacetamide
CID 139958339
N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-2-hydroxy-2-pyridin-2-ylacetamide
CID 22714183
N-[[(1S,3R)-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide
CID 20729689
5-[3-(benzenesulfonylmethyl)cyclohexyl]-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
CID 22713712
N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]benzamide
CID 22713974
5-(3-aminocyclohexyl)-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
CID 22713714
5-[3-(azidomethyl)cyclohexyl]-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
CID 22714175
[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,7]naphthyridin-5-yl)cyclohexyl]methylcarbamic acid
CID 22170149
N-[[3-(9-cyano-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-3-carboxamide
CID 139958180
N-[2-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]ethyl]-2,2-dimethyl-N-phenylpropanamide
CID 139958270
2-(tert-butylamino)-N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]acetamide
CID 22714098

Frequently Asked Questions

What is the IUPAC name of N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-2-carboxamide (CID 139958335) is N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-2-carboxamide is Cc1onc2c1c(=O)n(C1CCCC(CNC(=O)c3ccccn3)C1)c1cccc(Cl)c21.
What is the InChIKey of N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-2-carboxamide?
The InChIKey is WJKZOMSOWGSPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c1-14-20-22(28-32-14)21-17(25)8-5-10-19(21)29(24(20)31)16-7-4-6-15(12-16)13-27-23(30)18-9-2-3-11-26-18/h2-3,5,8-11,15-16H,4,6-7,12-13H2,1H3,(H,27,30).
What are the key properties of N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-2-carboxamide?
N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-2-carboxamide has a molecular weight of 450.93 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 139958335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).