N-(2-cyanophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C18H17N3O2 — CID 66494953

IUPACN-(2-cyanophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1CCc2[nH]c(=O)c(C(=O)Nc3ccccc3C#N)cc2C1
InChIInChI=1S/C18H17N3O2/c1-11-6-7-16-13(8-11)9-14(18(23)21-16)17(22)20-15-5-3-2-4-12(15)10-19/h2-5,9,11H,6-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyWTOZSHFCMBRHHY-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.62
Rot. Bonds2

About N-(2-cyanophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-(2-cyanophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 66494953) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(2-cyanophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID66494953
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(2-cyanophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1CCc2[nH]c(=O)c(C(=O)Nc3ccccc3C#N)cc2C1
InChIInChI=1S/C18H17N3O2/c1-11-6-7-16-13(8-11)9-14(18(23)21-16)17(22)20-15-5-3-2-4-12(15)10-19/h2-5,9,11H,6-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyWTOZSHFCMBRHHY-UHFFFAOYSA-N
XLogP2.62
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-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-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 56921443
(6R)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 95196424
(6R)-N-(4-ethoxyphenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 95397492
N-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110864734
N-[2-[(2-methylphenyl)methylamino]phenyl]-2-oxo-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 167831707
methyl 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]benzoate
CID 66495211
N-(2-acetylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495324
N-(2-chlorophenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56737934
6-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51054917
N-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide
CID 63107973
N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 79005674
N-(2-cyanophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 95568631

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 66494953) is N-(2-cyanophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1CCc2[nH]c(=O)c(C(=O)Nc3ccccc3C#N)cc2C1.
What is the InChIKey of N-(2-cyanophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is WTOZSHFCMBRHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-6-7-16-13(8-11)9-14(18(23)21-16)17(22)20-15-5-3-2-4-12(15)10-19/h2-5,9,11H,6-8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-cyanophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-(2-cyanophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 66494953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).