2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide

C23H19N3O3 — CID 1225611

IUPAC2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)c1
InChIInChI=1S/C23H19N3O3/c1-28-16-7-8-22(29-2)19(13-16)21-14-18(17-5-3-4-6-20(17)26-21)23(27)25-15-9-11-24-12-10-15/h3-14H,1-2H3,(H,24,25,27)
InChIKeyOXYPOQKHRJIKDZ-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.57
Rot. Bonds5

About 2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide

2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 1225611) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
PubChem CID1225611
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)c1
InChIInChI=1S/C23H19N3O3/c1-28-16-7-8-22(29-2)19(13-16)21-14-18(17-5-3-4-6-20(17)26-21)23(27)25-15-9-11-24-12-10-15/h3-14H,1-2H3,(H,24,25,27)
InChIKeyOXYPOQKHRJIKDZ-UHFFFAOYSA-N
XLogP4.57
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-carbamoylphenyl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 1225718
2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4659976
N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 4150006
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 3464523
2-(2,5-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)quinoline-4-carboxamide
CID 3504792
2-(2,4-dimethoxyphenyl)-N-(3-fluorophenyl)quinoline-4-carboxamide
CID 1000946
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
6-chloro-2-(2-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 2965510
2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide
CID 1010247
2-(2,5-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 2965771
N-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353292

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide (CID 1225611) is 2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is OXYPOQKHRJIKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-28-16-7-8-22(29-2)19(13-16)21-14-18(17-5-3-4-6-20(17)26-21)23(27)25-15-9-11-24-12-10-15/h3-14H,1-2H3,(H,24,25,27).
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 1225611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).