(2-acetylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate

C25H19NO4 — CID 1218453

IUPAC(2-acetylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)Oc3ccccc3C(C)=O)c3ccccc3n2)cc1
InChIInChI=1S/C25H19NO4/c1-16(27)19-7-4-6-10-24(19)30-25(28)21-15-23(17-11-13-18(29-2)14-12-17)26-22-9-5-3-8-20(21)22/h3-15H,1-2H3
InChIKeyOTMOGQCCCMKQHC-UHFFFAOYSA-N
MW397.43 g/mol
LogP5.33
Rot. Bonds5

About (2-acetylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate

(2-acetylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate (PubChem CID 1218453) has the molecular formula C25H19NO4 and a molecular weight of 397.43 g/mol. Its IUPAC name is (2-acetylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(2-acetylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
PubChem CID1218453
Molecular FormulaC25H19NO4
Molecular Weight397.43 g/mol
Exact Mass397.13
IUPAC Name(2-acetylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)Oc3ccccc3C(C)=O)c3ccccc3n2)cc1
InChIInChI=1S/C25H19NO4/c1-16(27)19-7-4-6-10-24(19)30-25(28)21-15-23(17-11-13-18(29-2)14-12-17)26-22-9-5-3-8-20(21)22/h3-15H,1-2H3
InChIKeyOTMOGQCCCMKQHC-UHFFFAOYSA-N
XLogP5.33
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.43
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxyphenyl) 2-phenylquinoline-4-carboxylate
CID 1128700
(2,6-dimethoxyphenyl) 2-phenylquinoline-4-carboxylate
CID 19101104
(2,6-dimethoxyphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate
CID 2382181
(4-acetylphenyl) 2-(4-methylphenyl)quinoline-4-carboxylate
CID 1128701
1-[2-[4-(2-methoxyphenyl)phenyl]quinolin-4-yl]ethanone
CID 145465068
2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid
CID 67205145
(1,3-dioxoisoindol-2-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 3995966
methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668
(2,3-dichlorophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate
CID 3271979
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336

Frequently Asked Questions

What is the IUPAC name of (2-acetylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of (2-acetylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate (CID 1218453) is (2-acetylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for (2-acetylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for (2-acetylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate is COc1ccc(-c2cc(C(=O)Oc3ccccc3C(C)=O)c3ccccc3n2)cc1.
What is the InChIKey of (2-acetylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The InChIKey is OTMOGQCCCMKQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO4/c1-16(27)19-7-4-6-10-24(19)30-25(28)21-15-23(17-11-13-18(29-2)14-12-17)26-22-9-5-3-8-20(21)22/h3-15H,1-2H3.
What are the key properties of (2-acetylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate?
(2-acetylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate has a molecular weight of 397.43 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 1218453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).