2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide

C28H22N2O3 — CID 4659976

IUPAC2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc4ccccc4c3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C28H22N2O3/c1-32-21-13-14-23(27(16-21)33-2)26-17-24(22-9-5-6-10-25(22)30-26)28(31)29-20-12-11-18-7-3-4-8-19(18)15-20/h3-17H,1-2H3,(H,29,31)
InChIKeyFQBLDZBNXYYCLH-UHFFFAOYSA-N
MW434.50 g/mol
LogP6.32
Rot. Bonds5

About 2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide

2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide (PubChem CID 4659976) has the molecular formula C28H22N2O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
PubChem CID4659976
Molecular FormulaC28H22N2O3
Molecular Weight434.50 g/mol
Exact Mass434.16
IUPAC Name2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc4ccccc4c3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C28H22N2O3/c1-32-21-13-14-23(27(16-21)33-2)26-17-24(22-9-5-6-10-25(22)30-26)28(31)29-20-12-11-18-7-3-4-8-19(18)15-20/h3-17H,1-2H3,(H,29,31)
InChIKeyFQBLDZBNXYYCLH-UHFFFAOYSA-N
XLogP6.32
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 4150006
methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 3464523
2-(2,4-dimethoxyphenyl)-N-(3-fluorophenyl)quinoline-4-carboxamide
CID 1000946
2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide
CID 1010247
2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 1225611
2-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 4193084
2-(2,4-dimethoxyphenyl)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 42749560
2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide
CID 3575528
N-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353292
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-(2,4-dimethoxyphenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 997833
2-(2,4-dimethoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2164416

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide (CID 4659976) is 2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc4ccccc4c3)c3ccccc3n2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide?
The InChIKey is FQBLDZBNXYYCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O3/c1-32-21-13-14-23(27(16-21)33-2)26-17-24(22-9-5-6-10-25(22)30-26)28(31)29-20-12-11-18-7-3-4-8-19(18)15-20/h3-17H,1-2H3,(H,29,31).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide?
2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 4659976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).