4-ethoxy-N-(2-hydroxyphenyl)-2-(4-methylphenyl)quinoline-6-carboxamide

C25H22N2O3 — CID 46319059

IUPAC4-ethoxy-N-(2-hydroxyphenyl)-2-(4-methylphenyl)quinoline-6-carboxamide
SMILESCCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)Nc3ccccc3O)cc12
InChIInChI=1S/C25H22N2O3/c1-3-30-24-15-22(17-10-8-16(2)9-11-17)26-20-13-12-18(14-19(20)24)25(29)27-21-6-4-5-7-23(21)28/h4-15,28H,3H2,1-2H3,(H,27,29)
InChIKeyUGCWKPONOOLOEJ-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.57
Rot. Bonds5

About 4-ethoxy-N-(2-hydroxyphenyl)-2-(4-methylphenyl)quinoline-6-carboxamide

4-ethoxy-N-(2-hydroxyphenyl)-2-(4-methylphenyl)quinoline-6-carboxamide (PubChem CID 46319059) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 4-ethoxy-N-(2-hydroxyphenyl)-2-(4-methylphenyl)quinoline-6-carboxamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-hydroxyphenyl)-2-(4-methylphenyl)quinoline-6-carboxamide
PubChem CID46319059
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name4-ethoxy-N-(2-hydroxyphenyl)-2-(4-methylphenyl)quinoline-6-carboxamide
SMILESCCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)Nc3ccccc3O)cc12
InChIInChI=1S/C25H22N2O3/c1-3-30-24-15-22(17-10-8-16(2)9-11-17)26-20-13-12-18(14-19(20)24)25(29)27-21-6-4-5-7-23(21)28/h4-15,28H,3H2,1-2H3,(H,27,29)
InChIKeyUGCWKPONOOLOEJ-UHFFFAOYSA-N
XLogP5.57
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-2-(4-fluorophenyl)-N-(2-hydroxyphenyl)quinoline-6-carboxamide
CID 46319037
4-ethoxy-N-(4-methylphenyl)-2-phenylquinoline-6-carboxamide
CID 46318814
4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide
CID 46319060
4-ethoxy-N-[(2R)-2-hydroxypropyl]-2-(4-methylphenyl)quinoline-6-carboxamide
CID 92867755
4-ethoxy-N-(2-ethylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318886
4-ethoxy-N-(2-methoxy-5-methylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318892
ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
CID 22425101
N-(2-ethoxyphenyl)-2-(6-methyl-2-phenylquinolin-4-yl)oxyacetamide
CID 46298833
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
1-[4-ethoxy-2-(4-methylphenyl)quinolin-6-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 50828262
4-ethoxy-N,2-bis(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318881

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-hydroxyphenyl)-2-(4-methylphenyl)quinoline-6-carboxamide?
The IUPAC name of 4-ethoxy-N-(2-hydroxyphenyl)-2-(4-methylphenyl)quinoline-6-carboxamide (CID 46319059) is 4-ethoxy-N-(2-hydroxyphenyl)-2-(4-methylphenyl)quinoline-6-carboxamide.
What is the SMILES notation for 4-ethoxy-N-(2-hydroxyphenyl)-2-(4-methylphenyl)quinoline-6-carboxamide?
The canonical SMILES for 4-ethoxy-N-(2-hydroxyphenyl)-2-(4-methylphenyl)quinoline-6-carboxamide is CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)Nc3ccccc3O)cc12.
What is the InChIKey of 4-ethoxy-N-(2-hydroxyphenyl)-2-(4-methylphenyl)quinoline-6-carboxamide?
The InChIKey is UGCWKPONOOLOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-3-30-24-15-22(17-10-8-16(2)9-11-17)26-20-13-12-18(14-19(20)24)25(29)27-21-6-4-5-7-23(21)28/h4-15,28H,3H2,1-2H3,(H,27,29).
What are the key properties of 4-ethoxy-N-(2-hydroxyphenyl)-2-(4-methylphenyl)quinoline-6-carboxamide?
4-ethoxy-N-(2-hydroxyphenyl)-2-(4-methylphenyl)quinoline-6-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-hydroxyphenyl)-2-(4-methylphenyl)quinoline-6-carboxamide is sourced from PubChem (CID 46319059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).