6-methyl-N-(2-methylnaphthalen-1-yl)-2-phenylquinoline-4-carboxamide

C28H22N2O — CID 3165781

IUPAC6-methyl-N-(2-methylnaphthalen-1-yl)-2-phenylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3c(C)ccc4ccccc34)c2c1
InChIInChI=1S/C28H22N2O/c1-18-12-15-25-23(16-18)24(17-26(29-25)21-9-4-3-5-10-21)28(31)30-27-19(2)13-14-20-8-6-7-11-22(20)27/h3-17H,1-2H3,(H,30,31)
InChIKeyZVHYPZGUJCWCAC-UHFFFAOYSA-N
MW402.50 g/mol
LogP6.92
Rot. Bonds3

About 6-methyl-N-(2-methylnaphthalen-1-yl)-2-phenylquinoline-4-carboxamide

6-methyl-N-(2-methylnaphthalen-1-yl)-2-phenylquinoline-4-carboxamide (PubChem CID 3165781) has the molecular formula C28H22N2O and a molecular weight of 402.50 g/mol. Its IUPAC name is 6-methyl-N-(2-methylnaphthalen-1-yl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-methylnaphthalen-1-yl)-2-phenylquinoline-4-carboxamide
PubChem CID3165781
Molecular FormulaC28H22N2O
Molecular Weight402.50 g/mol
Exact Mass402.17
IUPAC Name6-methyl-N-(2-methylnaphthalen-1-yl)-2-phenylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3c(C)ccc4ccccc34)c2c1
InChIInChI=1S/C28H22N2O/c1-18-12-15-25-23(16-18)24(17-26(29-25)21-9-4-3-5-10-21)28(31)30-27-19(2)13-14-20-8-6-7-11-22(20)27/h3-17H,1-2H3,(H,30,31)
InChIKeyZVHYPZGUJCWCAC-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-chlorophenyl)-N-(2-methylnaphthalen-1-yl)quinoline-4-carboxamide
CID 3165622
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
6-methyl-N-(4-methyl-2-pyridinyl)-2-phenylquinoline-4-carboxamide
CID 16573417
N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4795719
N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 3131018
N-ethoxy-6-methyl-2-phenylquinoline-4-carboxamide
CID 31098936
N-(5-chloro-2-methylphenyl)-2-(3-hydroxyphenyl)-6-methylquinoline-4-carboxamide
CID 85470701
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
N-(3,4-dimethylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749800
N-(2,6-dimethylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647461
6-methyl-N-(3-nitrophenyl)-2-phenylquinoline-4-carboxamide
CID 1122087
6-methyl-N,2-dipyridin-4-ylquinoline-4-carboxamide
CID 899146

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methylnaphthalen-1-yl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of 6-methyl-N-(2-methylnaphthalen-1-yl)-2-phenylquinoline-4-carboxamide (CID 3165781) is 6-methyl-N-(2-methylnaphthalen-1-yl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-methylnaphthalen-1-yl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 6-methyl-N-(2-methylnaphthalen-1-yl)-2-phenylquinoline-4-carboxamide is Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3c(C)ccc4ccccc34)c2c1.
What is the InChIKey of 6-methyl-N-(2-methylnaphthalen-1-yl)-2-phenylquinoline-4-carboxamide?
The InChIKey is ZVHYPZGUJCWCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O/c1-18-12-15-25-23(16-18)24(17-26(29-25)21-9-4-3-5-10-21)28(31)30-27-19(2)13-14-20-8-6-7-11-22(20)27/h3-17H,1-2H3,(H,30,31).
What are the key properties of 6-methyl-N-(2-methylnaphthalen-1-yl)-2-phenylquinoline-4-carboxamide?
6-methyl-N-(2-methylnaphthalen-1-yl)-2-phenylquinoline-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 6-methyl-N-(2-methylnaphthalen-1-yl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 3165781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).