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

C26H24N2O3 — CID 4207709

IUPAC2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)quinoline-4-carboxamide
SMILESCCc1cccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)c1
InChIInChI=1S/C26H24N2O3/c1-4-17-8-7-9-19(14-17)27-26(29)21-16-23(28-22-11-6-5-10-20(21)22)18-12-13-24(30-2)25(15-18)31-3/h5-16H,4H2,1-3H3,(H,27,29)
InChIKeyWRHUEGRRHUMZCG-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.73
Rot. Bonds6

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

2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)quinoline-4-carboxamide (PubChem CID 4207709) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)quinoline-4-carboxamide
PubChem CID4207709
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)quinoline-4-carboxamide
SMILESCCc1cccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)c1
InChIInChI=1S/C26H24N2O3/c1-4-17-8-7-9-19(14-17)27-26(29)21-16-23(28-22-11-6-5-10-20(21)22)18-12-13-24(30-2)25(15-18)31-3/h5-16H,4H2,1-3H3,(H,27,29)
InChIKeyWRHUEGRRHUMZCG-UHFFFAOYSA-N
XLogP5.73
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2161835
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
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
N-(4-carbamoyl-3-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 56516872
2-(1,3-benzodioxol-5-yl)-N-(3-ethylphenyl)quinoline-4-carboxamide
CID 3540981
2-(3,4-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 16551290
2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide
CID 46578599
2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide
CID 3664969
2-(4-ethylphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 2163462
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 55908058
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-(3-ethylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)quinoline-4-carboxamide (CID 4207709) is 2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)quinoline-4-carboxamide is CCc1cccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)quinoline-4-carboxamide?
The InChIKey is WRHUEGRRHUMZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-4-17-8-7-9-19(14-17)27-26(29)21-16-23(28-22-11-6-5-10-20(21)22)18-12-13-24(30-2)25(15-18)31-3/h5-16H,4H2,1-3H3,(H,27,29).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)quinoline-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)quinoline-4-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4207709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).