2-(3,4-dimethylphenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide

C22H24N2O — CID 42749696

IUPAC2-(3,4-dimethylphenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)NC(C)C)c2c1
InChIInChI=1S/C22H24N2O/c1-13(2)23-22(25)19-12-21(17-8-7-15(4)16(5)11-17)24-20-9-6-14(3)10-18(19)20/h6-13H,1-5H3,(H,23,25)
InChIKeyJGCBRAIHAIIPLN-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.97
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide

2-(3,4-dimethylphenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide (PubChem CID 42749696) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide
PubChem CID42749696
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name2-(3,4-dimethylphenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)NC(C)C)c2c1
InChIInChI=1S/C22H24N2O/c1-13(2)23-22(25)19-12-21(17-8-7-15(4)16(5)11-17)24-20-9-6-14(3)10-18(19)20/h6-13H,1-5H3,(H,23,25)
InChIKeyJGCBRAIHAIIPLN-UHFFFAOYSA-N
XLogP4.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-6-methyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 42749695
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 2220449
2-(2-fluorophenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 42749910
N-(3,4-dimethylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749800
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-cyclohexyl-2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carboxamide
CID 42750152
2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4144858
N-(1-methoxypropan-2-yl)-2,6-dimethylquinoline-4-carboxamide
CID 18160978
2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3492969

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide (CID 42749696) is 2-(3,4-dimethylphenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide is Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)NC(C)C)c2c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide?
The InChIKey is JGCBRAIHAIIPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-13(2)23-22(25)19-12-21(17-8-7-15(4)16(5)11-17)24-20-9-6-14(3)10-18(19)20/h6-13H,1-5H3,(H,23,25).
What are the key properties of 2-(3,4-dimethylphenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide?
2-(3,4-dimethylphenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 4.97, 3 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-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 42749696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).