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

C25H19NO3 — CID 1128701

IUPAC(4-acetylphenyl) 2-(4-methylphenyl)quinoline-4-carboxylate
SMILESCC(=O)c1ccc(OC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1
InChIInChI=1S/C25H19NO3/c1-16-7-9-19(10-8-16)24-15-22(21-5-3-4-6-23(21)26-24)25(28)29-20-13-11-18(12-14-20)17(2)27/h3-15H,1-2H3
InChIKeyOYYRQDFRVZNNHR-UHFFFAOYSA-N
MW381.43 g/mol
LogP5.63
Rot. Bonds4

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

(4-acetylphenyl) 2-(4-methylphenyl)quinoline-4-carboxylate (PubChem CID 1128701) has the molecular formula C25H19NO3 and a molecular weight of 381.43 g/mol. Its IUPAC name is (4-acetylphenyl) 2-(4-methylphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(4-acetylphenyl) 2-(4-methylphenyl)quinoline-4-carboxylate
PubChem CID1128701
Molecular FormulaC25H19NO3
Molecular Weight381.43 g/mol
Exact Mass381.14
IUPAC Name(4-acetylphenyl) 2-(4-methylphenyl)quinoline-4-carboxylate
SMILESCC(=O)c1ccc(OC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1
InChIInChI=1S/C25H19NO3/c1-16-7-9-19(10-8-16)24-15-22(21-5-3-4-6-23(21)26-24)25(28)29-20-13-11-18(12-14-20)17(2)27/h3-15H,1-2H3
InChIKeyOYYRQDFRVZNNHR-UHFFFAOYSA-N
XLogP5.63
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.43
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-acetyloxyphenyl)-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 126190703
2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid
CID 67205145
(4-acetylphenyl) 2-propan-2-ylquinoline-4-carboxylate
CID 16562571
[2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxoethyl] 2-(4-ethylphenyl)quinoline-4-carboxylate
CID 126186966
(2-acetylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 1218453
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 5076248
[4-[4-(2-hydroxyquinoline-4-carbonyl)oxyphenyl]phenyl] 2-hydroxyquinoline-4-carboxylate
CID 135499010
(4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648246
[(2R)-1-oxo-1-phenylpropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 1217833
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylate
CID 4003521
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
(2-methoxyphenyl) 2-phenylquinoline-4-carboxylate
CID 1128700

Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl) 2-(4-methylphenyl)quinoline-4-carboxylate?
The IUPAC name of (4-acetylphenyl) 2-(4-methylphenyl)quinoline-4-carboxylate (CID 1128701) is (4-acetylphenyl) 2-(4-methylphenyl)quinoline-4-carboxylate.
What is the SMILES notation for (4-acetylphenyl) 2-(4-methylphenyl)quinoline-4-carboxylate?
The canonical SMILES for (4-acetylphenyl) 2-(4-methylphenyl)quinoline-4-carboxylate is CC(=O)c1ccc(OC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1.
What is the InChIKey of (4-acetylphenyl) 2-(4-methylphenyl)quinoline-4-carboxylate?
The InChIKey is OYYRQDFRVZNNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO3/c1-16-7-9-19(10-8-16)24-15-22(21-5-3-4-6-23(21)26-24)25(28)29-20-13-11-18(12-14-20)17(2)27/h3-15H,1-2H3.
What are the key properties of (4-acetylphenyl) 2-(4-methylphenyl)quinoline-4-carboxylate?
(4-acetylphenyl) 2-(4-methylphenyl)quinoline-4-carboxylate has a molecular weight of 381.43 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl) 2-(4-methylphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 1128701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).