N-[(1S,2R)-2-methylcyclohexyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C17H22N2O3 — CID 36811908

IUPACN-[(1S,2R)-2-methylcyclohexyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c([nH]c1=O)CCCC2=O
InChIInChI=1S/C17H22N2O3/c1-10-5-2-3-6-13(10)18-16(21)12-9-11-14(19-17(12)22)7-4-8-15(11)20/h9-10,13H,2-8H2,1H3,(H,18,21)(H,19,22)/t10-,13+/m1/s1
InChIKeyDQCHQXCPBYWVAR-MFKMUULPSA-N
MW302.37 g/mol
LogP2.20
Rot. Bonds2

About N-[(1S,2R)-2-methylcyclohexyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-[(1S,2R)-2-methylcyclohexyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 36811908) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[(1S,2R)-2-methylcyclohexyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-methylcyclohexyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID36811908
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[(1S,2R)-2-methylcyclohexyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c([nH]c1=O)CCCC2=O
InChIInChI=1S/C17H22N2O3/c1-10-5-2-3-6-13(10)18-16(21)12-9-11-14(19-17(12)22)7-4-8-15(11)20/h9-10,13H,2-8H2,1H3,(H,18,21)(H,19,22)/t10-,13+/m1/s1
InChIKeyDQCHQXCPBYWVAR-MFKMUULPSA-N
XLogP2.20
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2R)-2-methylcyclohexyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-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-(2-methylcyclohexyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497911
3-(4-methylpiperidine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 36772912
N-(2-methoxyethyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36656888
N-(2-methylcyclohexyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497320
7,7-dimethyl-N-(3-methylpiperidin-4-yl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide;hydrochloride
CID 120555189
N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 154867397
N-(2,4-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36704964
N-(2,3-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 33330216
2,4-dihydroxy-N-(2-methylcycloheptyl)benzamide
CID 103714355
N-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495526
2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide
CID 7028594
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 60556379

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 36811908) is N-[(1S,2R)-2-methylcyclohexyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-methylcyclohexyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-methylcyclohexyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c([nH]c1=O)CCCC2=O.
What is the InChIKey of N-[(1S,2R)-2-methylcyclohexyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is DQCHQXCPBYWVAR-MFKMUULPSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-10-5-2-3-6-13(10)18-16(21)12-9-11-14(19-17(12)22)7-4-8-15(11)20/h9-10,13H,2-8H2,1H3,(H,18,21)(H,19,22)/t10-,13+/m1/s1.
What are the key properties of N-[(1S,2R)-2-methylcyclohexyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-[(1S,2R)-2-methylcyclohexyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-methylcyclohexyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 36811908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).