2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide

C25H22N2O4 — CID 4557332

IUPAC2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)cc1
InChIInChI=1S/C25H22N2O4/c1-29-18-11-9-17(10-12-18)26-25(28)20-15-22(27-21-7-5-4-6-19(20)21)16-8-13-23(30-2)24(14-16)31-3/h4-15H,1-3H3,(H,26,28)
InChIKeyIKWOWMYTHPBAAX-UHFFFAOYSA-N
MW414.46 g/mol
LogP5.18
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 4557332) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
PubChem CID4557332
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)cc1
InChIInChI=1S/C25H22N2O4/c1-29-18-11-9-17(10-12-18)26-25(28)20-15-22(27-21-7-5-4-6-19(20)21)16-8-13-23(30-2)24(14-16)31-3/h4-15H,1-3H3,(H,26,28)
InChIKeyIKWOWMYTHPBAAX-UHFFFAOYSA-N
XLogP5.18
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2161835
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-(4-carbamoyl-3-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 56516872
ethyl 4-[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 4580773
2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 3253298
2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)quinoline-4-carboxamide
CID 4207709
2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4144858
7-methoxy-N-(4-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 164616063
2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 1225611
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 5094767
N-[4-[2-[1-(3,4-dimethoxyphenyl)ethylamino]ethoxy]phenyl]-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 22917190
N-(3-carbamoylthiophen-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 2108810

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide (CID 4557332) is 2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)cc1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is IKWOWMYTHPBAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-29-18-11-9-17(10-12-18)26-25(28)20-15-22(27-21-7-5-4-6-19(20)21)16-8-13-23(30-2)24(14-16)31-3/h4-15H,1-3H3,(H,26,28).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4557332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).