4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide

C28H28N2O5 — CID 46319060

IUPAC4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide
SMILESCCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)cc12
InChIInChI=1S/C28H28N2O5/c1-6-35-24-16-23(18-9-7-17(2)8-10-18)30-22-12-11-19(13-21(22)24)28(31)29-20-14-25(32-3)27(34-5)26(15-20)33-4/h7-16H,6H2,1-5H3,(H,29,31)
InChIKeyOZBZBUYZMMGWAR-UHFFFAOYSA-N
MW472.54 g/mol
LogP5.89
Rot. Bonds8

About 4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide

4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide (PubChem CID 46319060) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is 4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide
PubChem CID46319060
Molecular FormulaC28H28N2O5
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC Name4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide
SMILESCCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)cc12
InChIInChI=1S/C28H28N2O5/c1-6-35-24-16-23(18-9-7-17(2)8-10-18)30-22-12-11-19(13-21(22)24)28(31)29-20-14-25(32-3)27(34-5)26(15-20)33-4/h7-16H,6H2,1-5H3,(H,29,31)
InChIKeyOZBZBUYZMMGWAR-UHFFFAOYSA-N
XLogP5.89
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N-(4-methylphenyl)-2-phenylquinoline-6-carboxamide
CID 46318814
4-ethoxy-N-(2-hydroxyphenyl)-2-(4-methylphenyl)quinoline-6-carboxamide
CID 46319059
4-methoxy-2-(4-methylphenyl)-N-propylquinoline-6-carboxamide
CID 46319104
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]benzamide
CID 53001311
4-ethoxy-N-(2-methoxy-5-methylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318892
4-ethoxy-N-[(2R)-2-hydroxypropyl]-2-(4-methylphenyl)quinoline-6-carboxamide
CID 92867755
4-ethoxy-N,2-bis(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318881
4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)quinoline-6-carboxamide
CID 46319106
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623
N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide
CID 45499103
N-(2,5-dimethoxyphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318861
N-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide
CID 53113500

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide?
The IUPAC name of 4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide (CID 46319060) is 4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide?
The canonical SMILES for 4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide is CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)cc12.
What is the InChIKey of 4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide?
The InChIKey is OZBZBUYZMMGWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5/c1-6-35-24-16-23(18-9-7-17(2)8-10-18)30-22-12-11-19(13-21(22)24)28(31)29-20-14-25(32-3)27(34-5)26(15-20)33-4/h7-16H,6H2,1-5H3,(H,29,31).
What are the key properties of 4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide?
4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide has a molecular weight of 472.54 g/mol, XLogP of 5.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide is sourced from PubChem (CID 46319060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).