[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate

C25H22N2O4 — CID 55507548

IUPAC[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
SMILESCc1ccc(C(=O)N(C)c2ccc(OC(=O)C3CC(=O)Nc4ccccc43)cc2)cc1
InChIInChI=1S/C25H22N2O4/c1-16-7-9-17(10-8-16)24(29)27(2)18-11-13-19(14-12-18)31-25(30)21-15-23(28)26-22-6-4-3-5-20(21)22/h3-14,21H,15H2,1-2H3,(H,26,28)
InChIKeyJZHFZSHLAJFRTM-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.30
Rot. Bonds4

About [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate

[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate (PubChem CID 55507548) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
PubChem CID55507548
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
SMILESCc1ccc(C(=O)N(C)c2ccc(OC(=O)C3CC(=O)Nc4ccccc43)cc2)cc1
InChIInChI=1S/C25H22N2O4/c1-16-7-9-17(10-8-16)24(29)27(2)18-11-13-19(14-12-18)31-25(30)21-15-23(28)26-22-6-4-3-5-20(21)22/h3-14,21H,15H2,1-2H3,(H,26,28)
InChIKeyJZHFZSHLAJFRTM-UHFFFAOYSA-N
XLogP4.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dimethylphenyl) 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 24603447
[4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclopentanecarboxylate
CID 33186300
N-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42884361
[4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclohex-3-ene-1-carboxylate
CID 60594523
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 55583631
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 55383795
(4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51531802
(4-phenylphenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 24603462
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methylphenoxy)propanoate
CID 55383634
[4-[methyl-(4-methylbenzoyl)amino]phenyl] pyridine-4-carboxylate
CID 60594547
N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 90825251
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-cyclopentylpropanoate
CID 60594598

Frequently Asked Questions

What is the IUPAC name of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The IUPAC name of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate (CID 55507548) is [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate.
What is the SMILES notation for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The canonical SMILES for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate is Cc1ccc(C(=O)N(C)c2ccc(OC(=O)C3CC(=O)Nc4ccccc43)cc2)cc1.
What is the InChIKey of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The InChIKey is JZHFZSHLAJFRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-16-7-9-17(10-8-16)24(29)27(2)18-11-13-19(14-12-18)31-25(30)21-15-23(28)26-22-6-4-3-5-20(21)22/h3-14,21H,15H2,1-2H3,(H,26,28).
What are the key properties of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate has a molecular weight of 414.46 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate is sourced from PubChem (CID 55507548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).