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

C28H22N2O2 — CID 4115326

IUPAC2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc4ccccc4c3)c2C)cc1
InChIInChI=1S/C28H22N2O2/c1-18-26(28(31)29-22-14-11-19-7-3-4-8-21(19)17-22)24-9-5-6-10-25(24)30-27(18)20-12-15-23(32-2)16-13-20/h3-17H,1-2H3,(H,29,31)
InChIKeyUPBAEVRAKQISSM-UHFFFAOYSA-N
MW418.50 g/mol
LogP6.62
Rot. Bonds4

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

2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide (PubChem CID 4115326) has the molecular formula C28H22N2O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide
PubChem CID4115326
Molecular FormulaC28H22N2O2
Molecular Weight418.50 g/mol
Exact Mass418.17
IUPAC Name2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc4ccccc4c3)c2C)cc1
InChIInChI=1S/C28H22N2O2/c1-18-26(28(31)29-22-14-11-19-7-3-4-8-21(19)17-22)24-9-5-6-10-25(24)30-27(18)20-12-15-23(32-2)16-13-20/h3-17H,1-2H3,(H,29,31)
InChIKeyUPBAEVRAKQISSM-UHFFFAOYSA-N
XLogP6.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4642101
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
N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4608973
3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
CID 3540473
2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 896971
2-(4-methoxyphenyl)-3-methyl-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4185870
N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 3681950
N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 1291424
2-(2,4-dichlorophenyl)-N-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 2259444
N-(4-bromo-2-fluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4617189
N-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 3279592

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide (CID 4115326) is 2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide is COc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc4ccccc4c3)c2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide?
The InChIKey is UPBAEVRAKQISSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O2/c1-18-26(28(31)29-22-14-11-19-7-3-4-8-21(19)17-22)24-9-5-6-10-25(24)30-27(18)20-12-15-23(32-2)16-13-20/h3-17H,1-2H3,(H,29,31).
What are the key properties of 2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide?
2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 6.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 4115326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).