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

C26H23N3O4 — CID 46318898

IUPACN-(2-carbamoylphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide
SMILESCCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3ccccc3C(N)=O)cc12
InChIInChI=1S/C26H23N3O4/c1-3-33-24-15-23(16-7-6-8-18(13-16)32-2)28-22-12-11-17(14-20(22)24)26(31)29-21-10-5-4-9-19(21)25(27)30/h4-15H,3H2,1-2H3,(H2,27,30)(H,29,31)
InChIKeyKEHZQLSUYMCKDS-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.66
Rot. Bonds7

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

N-(2-carbamoylphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide (PubChem CID 46318898) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide
PubChem CID46318898
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC NameN-(2-carbamoylphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide
SMILESCCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3ccccc3C(N)=O)cc12
InChIInChI=1S/C26H23N3O4/c1-3-33-24-15-23(16-7-6-8-18(13-16)32-2)28-22-12-11-17(14-20(22)24)26(31)29-21-10-5-4-9-19(21)25(27)30/h4-15H,3H2,1-2H3,(H2,27,30)(H,29,31)
InChIKeyKEHZQLSUYMCKDS-UHFFFAOYSA-N
XLogP4.66
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(2-ethylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318886
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
ethyl 2-(3-methoxyphenyl)-4-[2-(3-methylanilino)-2-oxoethoxy]quinoline-6-carboxylate
CID 46298739
ethyl 4-[2-(4-chloroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate
CID 46298722
N-(2-carbamoylphenyl)-4-ethoxy-3-methylbenzamide
CID 95970601

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide (CID 46318898) is N-(2-carbamoylphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide is CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3ccccc3C(N)=O)cc12.
What is the InChIKey of N-(2-carbamoylphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide?
The InChIKey is KEHZQLSUYMCKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-3-33-24-15-23(16-7-6-8-18(13-16)32-2)28-22-12-11-17(14-20(22)24)26(31)29-21-10-5-4-9-19(21)25(27)30/h4-15H,3H2,1-2H3,(H2,27,30)(H,29,31).
What are the key properties of N-(2-carbamoylphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide?
N-(2-carbamoylphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide is sourced from PubChem (CID 46318898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).