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

C24H19FN2O3 — CID 46319037

IUPAC4-ethoxy-2-(4-fluorophenyl)-N-(2-hydroxyphenyl)quinoline-6-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)Nc3ccccc3O)cc12
InChIInChI=1S/C24H19FN2O3/c1-2-30-23-14-21(15-7-10-17(25)11-8-15)26-19-12-9-16(13-18(19)23)24(29)27-20-5-3-4-6-22(20)28/h3-14,28H,2H2,1H3,(H,27,29)
InChIKeyKZEQWXFRPDUBJB-UHFFFAOYSA-N
MW402.43 g/mol
LogP5.40
Rot. Bonds5

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

4-ethoxy-2-(4-fluorophenyl)-N-(2-hydroxyphenyl)quinoline-6-carboxamide (PubChem CID 46319037) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is 4-ethoxy-2-(4-fluorophenyl)-N-(2-hydroxyphenyl)quinoline-6-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(4-fluorophenyl)-N-(2-hydroxyphenyl)quinoline-6-carboxamide
PubChem CID46319037
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name4-ethoxy-2-(4-fluorophenyl)-N-(2-hydroxyphenyl)quinoline-6-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)Nc3ccccc3O)cc12
InChIInChI=1S/C24H19FN2O3/c1-2-30-23-14-21(15-7-10-17(25)11-8-15)26-19-12-9-16(13-18(19)23)24(29)27-20-5-3-4-6-22(20)28/h3-14,28H,2H2,1H3,(H,27,29)
InChIKeyKZEQWXFRPDUBJB-UHFFFAOYSA-N
XLogP5.40
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.43
LogP ≤ 55.40
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-N-(2-hydroxyphenyl)-2-(4-methylphenyl)quinoline-6-carboxamide
CID 46319059
methyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 154854437
4-ethoxy-N-(4-methylphenyl)-2-phenylquinoline-6-carboxamide
CID 46318814
4-ethoxy-N-(2-ethylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318886
N-(2-carbamoylphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318898
4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide
CID 46319060
ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
CID 22425101
4-ethoxy-N,2-bis(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318881
N-(2,5-dimethoxyphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318861
ethyl 4-[2-(benzylamino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 46298865
4-ethoxy-N-[(2R)-2-hydroxypropyl]-2-(4-methylphenyl)quinoline-6-carboxamide
CID 92867755
N-(2-ethoxyphenyl)-2-(6-methyl-2-phenylquinolin-4-yl)oxyacetamide
CID 46298833

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-(2-hydroxyphenyl)quinoline-6-carboxamide?
The IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-(2-hydroxyphenyl)quinoline-6-carboxamide (CID 46319037) is 4-ethoxy-2-(4-fluorophenyl)-N-(2-hydroxyphenyl)quinoline-6-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(4-fluorophenyl)-N-(2-hydroxyphenyl)quinoline-6-carboxamide?
The canonical SMILES for 4-ethoxy-2-(4-fluorophenyl)-N-(2-hydroxyphenyl)quinoline-6-carboxamide is CCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)Nc3ccccc3O)cc12.
What is the InChIKey of 4-ethoxy-2-(4-fluorophenyl)-N-(2-hydroxyphenyl)quinoline-6-carboxamide?
The InChIKey is KZEQWXFRPDUBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c1-2-30-23-14-21(15-7-10-17(25)11-8-15)26-19-12-9-16(13-18(19)23)24(29)27-20-5-3-4-6-22(20)28/h3-14,28H,2H2,1H3,(H,27,29).
What are the key properties of 4-ethoxy-2-(4-fluorophenyl)-N-(2-hydroxyphenyl)quinoline-6-carboxamide?
4-ethoxy-2-(4-fluorophenyl)-N-(2-hydroxyphenyl)quinoline-6-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(4-fluorophenyl)-N-(2-hydroxyphenyl)quinoline-6-carboxamide is sourced from PubChem (CID 46319037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).