N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide

C26H24N2O — CID 995912

IUPACN-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)c3ccccc3n2)cc1C
InChIInChI=1S/C26H24N2O/c1-18-13-14-21(15-19(18)2)25-16-23(22-11-7-8-12-24(22)27-25)26(29)28(3)17-20-9-5-4-6-10-20/h4-16H,17H2,1-3H3
InChIKeyFEXDZMFPTKTCRW-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.79
Rot. Bonds4

About N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide

N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide (PubChem CID 995912) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide
PubChem CID995912
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC NameN-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)c3ccccc3n2)cc1C
InChIInChI=1S/C26H24N2O/c1-18-13-14-21(15-19(18)2)25-16-23(22-11-7-8-12-24(22)27-25)26(29)28(3)17-20-9-5-4-6-10-20/h4-16H,17H2,1-3H3
InChIKeyFEXDZMFPTKTCRW-UHFFFAOYSA-N
XLogP5.79
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 8964759
2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 7535435
2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 18267213
2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl-diethylazanium
CID 4114426
2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4144858
2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468
N-[(4-cyanophenyl)methyl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 39858915
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 27827840
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide
CID 26826456
N-butyl-N-methyl-2-phenylquinoline-4-carboxamide
CID 27702629
2-(5-chlorothiophen-2-yl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 7535473
2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749415

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide?
The IUPAC name of N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide (CID 995912) is N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide?
The canonical SMILES for N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)c3ccccc3n2)cc1C.
What is the InChIKey of N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide?
The InChIKey is FEXDZMFPTKTCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O/c1-18-13-14-21(15-19(18)2)25-16-23(22-11-7-8-12-24(22)27-25)26(29)28(3)17-20-9-5-4-6-10-20/h4-16H,17H2,1-3H3.
What are the key properties of N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide?
N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 995912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).