4-ethoxy-N-(2-ethylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide

C27H26N2O3 — CID 46318886

IUPAC4-ethoxy-N-(2-ethylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide
SMILESCCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3ccccc3CC)cc12
InChIInChI=1S/C27H26N2O3/c1-4-18-9-6-7-12-23(18)29-27(30)20-13-14-24-22(16-20)26(32-5-2)17-25(28-24)19-10-8-11-21(15-19)31-3/h6-17H,4-5H2,1-3H3,(H,29,30)
InChIKeyZHUFECNOLQXMCV-UHFFFAOYSA-N
MW426.52 g/mol
LogP6.12
Rot. Bonds7

About 4-ethoxy-N-(2-ethylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide

4-ethoxy-N-(2-ethylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide (PubChem CID 46318886) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-ethoxy-N-(2-ethylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-ethylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide
PubChem CID46318886
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name4-ethoxy-N-(2-ethylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide
SMILESCCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3ccccc3CC)cc12
InChIInChI=1S/C27H26N2O3/c1-4-18-9-6-7-12-23(18)29-27(30)20-13-14-24-22(16-20)26(32-5-2)17-25(28-24)19-10-8-11-21(15-19)31-3/h6-17H,4-5H2,1-3H3,(H,29,30)
InChIKeyZHUFECNOLQXMCV-UHFFFAOYSA-N
XLogP6.12
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-carbamoylphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318898
N-(2,5-dimethoxyphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318861
4-ethoxy-N,2-bis(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318881
4-ethoxy-N-(2-methoxy-5-methylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318892
4-ethoxy-N-(2-hydroxyphenyl)-2-(4-methylphenyl)quinoline-6-carboxamide
CID 46319059
1-(4-ethoxy-2-phenylquinolin-6-yl)-3-(3-methoxyphenyl)urea
CID 46385044
4-ethoxy-N-(4-methylphenyl)-2-phenylquinoline-6-carboxamide
CID 46318814
4-ethoxy-2-(4-fluorophenyl)-N-(2-hydroxyphenyl)quinoline-6-carboxamide
CID 46319037
ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
CID 22425101
4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide
CID 46319060
ethyl 2-(3-methoxyphenyl)-4-[2-(3-methylanilino)-2-oxoethoxy]quinoline-6-carboxylate
CID 46298739
N-(4-ethoxy-2-phenylquinolin-6-yl)-1,3-benzodioxole-5-carboxamide
CID 53113418

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-ethylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide?
The IUPAC name of 4-ethoxy-N-(2-ethylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide (CID 46318886) is 4-ethoxy-N-(2-ethylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide.
What is the SMILES notation for 4-ethoxy-N-(2-ethylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide?
The canonical SMILES for 4-ethoxy-N-(2-ethylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide is CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3ccccc3CC)cc12.
What is the InChIKey of 4-ethoxy-N-(2-ethylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide?
The InChIKey is ZHUFECNOLQXMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-4-18-9-6-7-12-23(18)29-27(30)20-13-14-24-22(16-20)26(32-5-2)17-25(28-24)19-10-8-11-21(15-19)31-3/h6-17H,4-5H2,1-3H3,(H,29,30).
What are the key properties of 4-ethoxy-N-(2-ethylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide?
4-ethoxy-N-(2-ethylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 6.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-ethylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide is sourced from PubChem (CID 46318886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).