N-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide

C18H22N2O2 — CID 110694501

IUPACN-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)NC2CCCCCC2)c2ccccc21
InChIInChI=1S/C18H22N2O2/c1-20-16-11-7-6-10-14(16)15(12-17(20)21)18(22)19-13-8-4-2-3-5-9-13/h6-7,10-13H,2-5,8-9H2,1H3,(H,19,22)
InChIKeyLXQPBGFXVMSRGB-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.99
Rot. Bonds2

About N-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide

N-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 110694501) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID110694501
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)NC2CCCCCC2)c2ccccc21
InChIInChI=1S/C18H22N2O2/c1-20-16-11-7-6-10-14(16)15(12-17(20)21)18(22)19-13-8-4-2-3-5-9-13/h6-7,10-13H,2-5,8-9H2,1H3,(H,19,22)
InChIKeyLXQPBGFXVMSRGB-UHFFFAOYSA-N
XLogP2.99
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cycloheptyl-1-methyl-2-oxoquinoline-4-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-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
N-cyclooctyl-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 5051673
1-methyl-2-oxo-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)quinoline-4-carboxamide
CID 75489945
5-cyclohexyl-4-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]pentanoic acid
CID 122056451
N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694467
N-[(2R,3S,4S)-3-hydroxy-2-(morpholin-4-ylmethyl)oxan-4-yl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 165422998
1-methyl-2-oxo-N-[(1-phenylcyclopentyl)methyl]quinoline-4-carboxamide
CID 55759441
4-(cyclobutylamino)-1-methylquinolin-2-one
CID 81244035
1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
CID 55909182
(2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370801
4-[(3S)-3-aminoazepane-1-carbonyl]-1-methylquinolin-2-one
CID 96574654
1-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-2-oxoquinoline-4-carboxamide
CID 146125810

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide (CID 110694501) is N-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide is Cn1c(=O)cc(C(=O)NC2CCCCCC2)c2ccccc21.
What is the InChIKey of N-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is LXQPBGFXVMSRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-20-16-11-7-6-10-14(16)15(12-17(20)21)18(22)19-13-8-4-2-3-5-9-13/h6-7,10-13H,2-5,8-9H2,1H3,(H,19,22).
What are the key properties of N-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide?
N-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 110694501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).