(2-methylphenyl) 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate

C24H18ClNO2 — CID 3648252

IUPAC(2-methylphenyl) 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate
SMILESCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Oc3ccccc3C)c2c1
InChIInChI=1S/C24H18ClNO2/c1-15-7-12-21-19(13-15)20(24(27)28-23-6-4-3-5-16(23)2)14-22(26-21)17-8-10-18(25)11-9-17/h3-14H,1-2H3
InChIKeyJDJVDQIGNKRUPE-UHFFFAOYSA-N
MW387.87 g/mol
LogP6.39
Rot. Bonds3

About (2-methylphenyl) 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate

(2-methylphenyl) 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate (PubChem CID 3648252) has the molecular formula C24H18ClNO2 and a molecular weight of 387.87 g/mol. Its IUPAC name is (2-methylphenyl) 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name(2-methylphenyl) 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate
PubChem CID3648252
Molecular FormulaC24H18ClNO2
Molecular Weight387.87 g/mol
Exact Mass387.10
IUPAC Name(2-methylphenyl) 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate
SMILESCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Oc3ccccc3C)c2c1
InChIInChI=1S/C24H18ClNO2/c1-15-7-12-21-19(13-15)20(24(27)28-23-6-4-3-5-16(23)2)14-22(26-21)17-8-10-18(25)11-9-17/h3-14H,1-2H3
InChIKeyJDJVDQIGNKRUPE-UHFFFAOYSA-N
XLogP6.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorophenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648166
(4-methylphenyl) 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate
CID 5159721
2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid
CID 18073531
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
(2-methoxyphenyl) 2-phenylquinoline-4-carboxylate
CID 1128700
[2-(4-chlorophenyl)-2-oxoethyl] 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methylquinoline-4-carboxylate
CID 3728550
[1-(4-methylphenyl)-1-oxopropan-2-yl] 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate
CID 3836640
2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 18073642
(2,3-dichlorophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate
CID 3271979
phenyl 2,6-dimethylquinoline-4-carboxylate
CID 18076219
(2-acetylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 1218453
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 3348265

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate?
The IUPAC name of (2-methylphenyl) 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate (CID 3648252) is (2-methylphenyl) 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate.
What is the SMILES notation for (2-methylphenyl) 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate?
The canonical SMILES for (2-methylphenyl) 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate is Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Oc3ccccc3C)c2c1.
What is the InChIKey of (2-methylphenyl) 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate?
The InChIKey is JDJVDQIGNKRUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClNO2/c1-15-7-12-21-19(13-15)20(24(27)28-23-6-4-3-5-16(23)2)14-22(26-21)17-8-10-18(25)11-9-17/h3-14H,1-2H3.
What are the key properties of (2-methylphenyl) 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate?
(2-methylphenyl) 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate has a molecular weight of 387.87 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate is sourced from PubChem (CID 3648252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).