2-(3,4-dimethylphenyl)-6-methyl-N-(2-methylpropyl)quinoline-4-carboxamide

C23H26N2O — CID 42749695

IUPAC2-(3,4-dimethylphenyl)-6-methyl-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)NCC(C)C)c2c1
InChIInChI=1S/C23H26N2O/c1-14(2)13-24-23(26)20-12-22(18-8-7-16(4)17(5)11-18)25-21-9-6-15(3)10-19(20)21/h6-12,14H,13H2,1-5H3,(H,24,26)
InChIKeyFUMXCPRYGSJYBV-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.21
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-6-methyl-N-(2-methylpropyl)quinoline-4-carboxamide

2-(3,4-dimethylphenyl)-6-methyl-N-(2-methylpropyl)quinoline-4-carboxamide (PubChem CID 42749695) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-6-methyl-N-(2-methylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-6-methyl-N-(2-methylpropyl)quinoline-4-carboxamide
PubChem CID42749695
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name2-(3,4-dimethylphenyl)-6-methyl-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)NCC(C)C)c2c1
InChIInChI=1S/C23H26N2O/c1-14(2)13-24-23(26)20-12-22(18-8-7-16(4)17(5)11-18)25-21-9-6-15(3)10-19(20)21/h6-12,14H,13H2,1-5H3,(H,24,26)
InChIKeyFUMXCPRYGSJYBV-UHFFFAOYSA-N
XLogP5.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 42749696
2-(3,4-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide
CID 17375106
2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 42749977
2-(3,4-dimethylphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide
CID 17375096
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 2220449
N-(3,4-dimethylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749800
2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 5116892
2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3558127
N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4795719
N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide
CID 55675834
N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 3397561
2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-6-methyl-N-(2-methylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-6-methyl-N-(2-methylpropyl)quinoline-4-carboxamide (CID 42749695) is 2-(3,4-dimethylphenyl)-6-methyl-N-(2-methylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-6-methyl-N-(2-methylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-6-methyl-N-(2-methylpropyl)quinoline-4-carboxamide is Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)NCC(C)C)c2c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-6-methyl-N-(2-methylpropyl)quinoline-4-carboxamide?
The InChIKey is FUMXCPRYGSJYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-14(2)13-24-23(26)20-12-22(18-8-7-16(4)17(5)11-18)25-21-9-6-15(3)10-19(20)21/h6-12,14H,13H2,1-5H3,(H,24,26).
What are the key properties of 2-(3,4-dimethylphenyl)-6-methyl-N-(2-methylpropyl)quinoline-4-carboxamide?
2-(3,4-dimethylphenyl)-6-methyl-N-(2-methylpropyl)quinoline-4-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-6-methyl-N-(2-methylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 42749695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).