N,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide

C25H30N2O — CID 4091106

IUPACN,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12
InChIInChI=1S/C25H30N2O/c1-4-6-16-27(17-7-5-2)25(28)22-18-24(20-14-12-19(3)13-15-20)26-23-11-9-8-10-21(22)23/h8-15,18H,4-7,16-17H2,1-3H3
InChIKeyFRAZVKXAINBROB-UHFFFAOYSA-N
MW374.53 g/mol
LogP6.25
Rot. Bonds8

About N,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide

N,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 4091106) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is N,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID4091106
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC NameN,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12
InChIInChI=1S/C25H30N2O/c1-4-6-16-27(17-7-5-2)25(28)22-18-24(20-14-12-19(3)13-15-20)26-23-11-9-8-10-21(22)23/h8-15,18H,4-7,16-17H2,1-3H3
InChIKeyFRAZVKXAINBROB-UHFFFAOYSA-N
XLogP6.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-methyl-2-phenylquinoline-4-carboxamide
CID 27702629
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 75866800
2-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
CID 55661695
N,N-bis(2-hydroxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4522233
N-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 78796165
1-(2-phenylquinolin-4-yl)heptan-1-one
CID 159379638
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide
CID 9163082
2-chloro-N,N-dipropylquinoline-4-carboxamide
CID 11426314
N-[3-[butyl(methyl)amino]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 4292431
N-[2,2-dimethyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2334871
2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide (CID 4091106) is N,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide is CCCCN(CCCC)C(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12.
What is the InChIKey of N,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is FRAZVKXAINBROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-4-6-16-27(17-7-5-2)25(28)22-18-24(20-14-12-19(3)13-15-20)26-23-11-9-8-10-21(22)23/h8-15,18H,4-7,16-17H2,1-3H3.
What are the key properties of N,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide?
N,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 6.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4091106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).