N-butyl-N-methyl-2-phenylquinoline-4-carboxamide

C21H22N2O — CID 27702629

IUPACN-butyl-N-methyl-2-phenylquinoline-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H22N2O/c1-3-4-14-23(2)21(24)18-15-20(16-10-6-5-7-11-16)22-19-13-9-8-12-17(18)19/h5-13,15H,3-4,14H2,1-2H3
InChIKeyJFDYJQPJAGYNCH-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.77
Rot. Bonds5

About N-butyl-N-methyl-2-phenylquinoline-4-carboxamide

N-butyl-N-methyl-2-phenylquinoline-4-carboxamide (PubChem CID 27702629) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-butyl-N-methyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-phenylquinoline-4-carboxamide
PubChem CID27702629
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-butyl-N-methyl-2-phenylquinoline-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H22N2O/c1-3-4-14-23(2)21(24)18-15-20(16-10-6-5-7-11-16)22-19-13-9-8-12-17(18)19/h5-13,15H,3-4,14H2,1-2H3
InChIKeyJFDYJQPJAGYNCH-UHFFFAOYSA-N
XLogP4.77
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4091106
methyl 4-[methyl-(2-pyridin-4-ylquinoline-4-carbonyl)amino]butanoate
CID 39491212
1-(2-phenylquinolin-4-yl)heptan-1-one
CID 159379638
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
2-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
CID 55661695
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 27827840
ethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide
CID 144714320
methoxyethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide;2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 158247376
2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide
CID 119826187
2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 7535435
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-butyl-N-methyl-2-phenylquinoline-4-carboxamide (CID 27702629) is N-butyl-N-methyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-butyl-N-methyl-2-phenylquinoline-4-carboxamide is CCCCN(C)C(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-butyl-N-methyl-2-phenylquinoline-4-carboxamide?
The InChIKey is JFDYJQPJAGYNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-3-4-14-23(2)21(24)18-15-20(16-10-6-5-7-11-16)22-19-13-9-8-12-17(18)19/h5-13,15H,3-4,14H2,1-2H3.
What are the key properties of N-butyl-N-methyl-2-phenylquinoline-4-carboxamide?
N-butyl-N-methyl-2-phenylquinoline-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 27702629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).