N-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide

C26H22N2O2 — CID 1312279

IUPACN-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccccc23)cc1
InChIInChI=1S/C26H22N2O2/c1-16-8-10-20(11-9-16)25-17(2)24(22-6-4-5-7-23(22)28-25)26(30)27-21-14-12-19(13-15-21)18(3)29/h4-15H,1-3H3,(H,27,30)
InChIKeyHCXNDBLVXNIHJW-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.97
Rot. Bonds4

About N-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide

N-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 1312279) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID1312279
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC NameN-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccccc23)cc1
InChIInChI=1S/C26H22N2O2/c1-16-8-10-20(11-9-16)25-17(2)24(22-6-4-5-7-23(22)28-25)26(30)27-21-14-12-19(13-15-21)18(3)29/h4-15H,1-3H3,(H,27,30)
InChIKeyHCXNDBLVXNIHJW-UHFFFAOYSA-N
XLogP5.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid
CID 3395284
3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4642101
3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
CID 3540473
propyl 4-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]benzoate
CID 3482413
2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4115326
3-methyl-2-(4-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4292288
3-methyl-2-(4-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4185223
3-methyl-2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 4101580
N-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 3279592
N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4608973
N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
CID 3417174
3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 4079544

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide (CID 1312279) is N-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide is CC(=O)c1ccc(NC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccccc23)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is HCXNDBLVXNIHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2/c1-16-8-10-20(11-9-16)25-17(2)24(22-6-4-5-7-23(22)28-25)26(30)27-21-14-12-19(13-15-21)18(3)29/h4-15H,1-3H3,(H,27,30).
What are the key properties of N-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
N-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1312279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).