3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide

C28H22N2O — CID 4642101

IUPAC3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
SMILESCc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc4ccccc4c3)c2C)cc1
InChIInChI=1S/C28H22N2O/c1-18-11-13-21(14-12-18)27-19(2)26(24-9-5-6-10-25(24)30-27)28(31)29-23-16-15-20-7-3-4-8-22(20)17-23/h3-17H,1-2H3,(H,29,31)
InChIKeyRLGWNGRQGZAQJK-UHFFFAOYSA-N
MW402.50 g/mol
LogP6.92
Rot. Bonds3

About 3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide

3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide (PubChem CID 4642101) has the molecular formula C28H22N2O and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
PubChem CID4642101
Molecular FormulaC28H22N2O
Molecular Weight402.50 g/mol
Exact Mass402.17
IUPAC Name3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
SMILESCc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc4ccccc4c3)c2C)cc1
InChIInChI=1S/C28H22N2O/c1-18-11-13-21(14-12-18)27-19(2)26(24-9-5-6-10-25(24)30-27)28(31)29-23-16-15-20-7-3-4-8-22(20)17-23/h3-17H,1-2H3,(H,29,31)
InChIKeyRLGWNGRQGZAQJK-UHFFFAOYSA-N
XLogP6.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4115326
4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid
CID 3395284
3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
CID 3540473
N-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1312279
N-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 3279592
3-methyl-2-(4-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4185223
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 3308985
2-(4-methoxyphenyl)-3-methyl-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 3479572
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-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 4101580
N-(4-chloro-3-nitrophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 3258904
2-(4-methoxyphenyl)-3-methyl-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4185870

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide?
The IUPAC name of 3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide (CID 4642101) is 3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide?
The canonical SMILES for 3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide is Cc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc4ccccc4c3)c2C)cc1.
What is the InChIKey of 3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide?
The InChIKey is RLGWNGRQGZAQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O/c1-18-11-13-21(14-12-18)27-19(2)26(24-9-5-6-10-25(24)30-27)28(31)29-23-16-15-20-7-3-4-8-22(20)17-23/h3-17H,1-2H3,(H,29,31).
What are the key properties of 3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide?
3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 6.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 4642101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).