N-(3-cyanophenyl)-2-(4-fluorophenyl)-N-methylquinoline-4-carboxamide

C24H16FN3O — CID 60588460

IUPACN-(3-cyanophenyl)-2-(4-fluorophenyl)-N-methylquinoline-4-carboxamide
SMILESCN(C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1cccc(C#N)c1
InChIInChI=1S/C24H16FN3O/c1-28(19-6-4-5-16(13-19)15-26)24(29)21-14-23(17-9-11-18(25)12-10-17)27-22-8-3-2-7-20(21)22/h2-14H,1H3
InChIKeyTZVSGEZVCXWOJW-UHFFFAOYSA-N
MW381.41 g/mol
LogP5.19
Rot. Bonds3

About N-(3-cyanophenyl)-2-(4-fluorophenyl)-N-methylquinoline-4-carboxamide

N-(3-cyanophenyl)-2-(4-fluorophenyl)-N-methylquinoline-4-carboxamide (PubChem CID 60588460) has the molecular formula C24H16FN3O and a molecular weight of 381.41 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(4-fluorophenyl)-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(4-fluorophenyl)-N-methylquinoline-4-carboxamide
PubChem CID60588460
Molecular FormulaC24H16FN3O
Molecular Weight381.41 g/mol
Exact Mass381.13
IUPAC NameN-(3-cyanophenyl)-2-(4-fluorophenyl)-N-methylquinoline-4-carboxamide
SMILESCN(C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1cccc(C#N)c1
InChIInChI=1S/C24H16FN3O/c1-28(19-6-4-5-16(13-19)15-26)24(29)21-14-23(17-9-11-18(25)12-10-17)27-22-8-3-2-7-20(21)22/h2-14H,1H3
InChIKeyTZVSGEZVCXWOJW-UHFFFAOYSA-N
XLogP5.19
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.41
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N,N-di(propan-2-yl)quinoline-4-carboxamide
CID 55530881
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
2-(4-cyanophenyl)-7-fluoroquinoline-4-carboxylic acid
CID 16789242
2-amino-N-(3-cyanophenyl)-4,5-difluoro-N-methylbenzamide
CID 62980898
N-(3-cyanophenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylpropanamide
CID 47077347
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 46541669
2-amino-N-methyl-N-phenylquinoline-4-carboxamide
CID 62155545
2-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 18206028
ethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide
CID 144714320
naphthalen-1-ylmethyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 3964201
N-[(4-cyanophenyl)methyl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 39858915
1-[2-(dimethylamino)ethyl]-3-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]thiourea
CID 8628003

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(4-fluorophenyl)-N-methylquinoline-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-(4-fluorophenyl)-N-methylquinoline-4-carboxamide (CID 60588460) is N-(3-cyanophenyl)-2-(4-fluorophenyl)-N-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(4-fluorophenyl)-N-methylquinoline-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(4-fluorophenyl)-N-methylquinoline-4-carboxamide is CN(C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(4-fluorophenyl)-N-methylquinoline-4-carboxamide?
The InChIKey is TZVSGEZVCXWOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3O/c1-28(19-6-4-5-16(13-19)15-26)24(29)21-14-23(17-9-11-18(25)12-10-17)27-22-8-3-2-7-20(21)22/h2-14H,1H3.
What are the key properties of N-(3-cyanophenyl)-2-(4-fluorophenyl)-N-methylquinoline-4-carboxamide?
N-(3-cyanophenyl)-2-(4-fluorophenyl)-N-methylquinoline-4-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(4-fluorophenyl)-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 60588460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).