N-(3,4-difluorophenyl)-2-methyl-4-phenylquinoline-3-carboxamide;hydrochloride

C23H17ClF2N2O — CID 42914787

IUPACN-(3,4-difluorophenyl)-2-methyl-4-phenylquinoline-3-carboxamide;hydrochloride
SMILESCc1nc2ccccc2c(-c2ccccc2)c1C(=O)Nc1ccc(F)c(F)c1.Cl
InChIInChI=1S/C23H16F2N2O.ClH/c1-14-21(23(28)27-16-11-12-18(24)19(25)13-16)22(15-7-3-2-4-8-15)17-9-5-6-10-20(17)26-14;/h2-13H,1H3,(H,27,28);1H
InChIKeyGLFOOXQOBGJFGK-UHFFFAOYSA-N
MW410.85 g/mol
LogP6.16
Rot. Bonds3

About N-(3,4-difluorophenyl)-2-methyl-4-phenylquinoline-3-carboxamide;hydrochloride

N-(3,4-difluorophenyl)-2-methyl-4-phenylquinoline-3-carboxamide;hydrochloride (PubChem CID 42914787) has the molecular formula C23H17ClF2N2O and a molecular weight of 410.85 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-methyl-4-phenylquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-methyl-4-phenylquinoline-3-carboxamide;hydrochloride
PubChem CID42914787
Molecular FormulaC23H17ClF2N2O
Molecular Weight410.85 g/mol
Exact Mass410.10
IUPAC NameN-(3,4-difluorophenyl)-2-methyl-4-phenylquinoline-3-carboxamide;hydrochloride
SMILESCc1nc2ccccc2c(-c2ccccc2)c1C(=O)Nc1ccc(F)c(F)c1.Cl
InChIInChI=1S/C23H16F2N2O.ClH/c1-14-21(23(28)27-16-11-12-18(24)19(25)13-16)22(15-7-3-2-4-8-15)17-9-5-6-10-20(17)26-14;/h2-13H,1H3,(H,27,28);1H
InChIKeyGLFOOXQOBGJFGK-UHFFFAOYSA-N
XLogP6.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.85
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,4-difluorophenyl)-2-methyl-4-phenylquinoline-3-carboxamide;hydrochloride 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-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287
N-(2-iodophenyl)-2-methyl-4-phenylquinoline-3-carboxamide
CID 134138354
6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide
CID 8966053
N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562695
[2-(3,4-difluoroanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825006
2-(3-bromophenyl)-N-(3,4-difluorophenyl)quinoline-4-carboxamide
CID 5102914
N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 26245099
6-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylquinoline-3-carboxamide
CID 24614620
N-(2,3-dihydro-1H-inden-5-yl)-2,4-dimethylquinoline-3-carboxamide
CID 9047175
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 27772966
3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
CID 3540473
N-(3,4-difluorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497927

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-methyl-4-phenylquinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-(3,4-difluorophenyl)-2-methyl-4-phenylquinoline-3-carboxamide;hydrochloride (CID 42914787) is N-(3,4-difluorophenyl)-2-methyl-4-phenylquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-methyl-4-phenylquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3,4-difluorophenyl)-2-methyl-4-phenylquinoline-3-carboxamide;hydrochloride is Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)Nc1ccc(F)c(F)c1.Cl.
What is the InChIKey of N-(3,4-difluorophenyl)-2-methyl-4-phenylquinoline-3-carboxamide;hydrochloride?
The InChIKey is GLFOOXQOBGJFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O.ClH/c1-14-21(23(28)27-16-11-12-18(24)19(25)13-16)22(15-7-3-2-4-8-15)17-9-5-6-10-20(17)26-14;/h2-13H,1H3,(H,27,28);1H.
What are the key properties of N-(3,4-difluorophenyl)-2-methyl-4-phenylquinoline-3-carboxamide;hydrochloride?
N-(3,4-difluorophenyl)-2-methyl-4-phenylquinoline-3-carboxamide;hydrochloride has a molecular weight of 410.85 g/mol, XLogP of 6.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-methyl-4-phenylquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 42914787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).