(4-methylphenyl) 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate

C24H18ClNO2 — CID 5159721

IUPAC(4-methylphenyl) 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate
SMILESCc1ccc(OC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cccc23)cc1
InChIInChI=1S/C24H18ClNO2/c1-15-6-12-19(13-7-15)28-24(27)21-14-22(17-8-10-18(25)11-9-17)26-23-16(2)4-3-5-20(21)23/h3-14H,1-2H3
InChIKeyVBCXUCRUNQGYTL-UHFFFAOYSA-N
MW387.87 g/mol
LogP6.39
Rot. Bonds3

About (4-methylphenyl) 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate

(4-methylphenyl) 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate (PubChem CID 5159721) has the molecular formula C24H18ClNO2 and a molecular weight of 387.87 g/mol. Its IUPAC name is (4-methylphenyl) 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl) 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate
PubChem CID5159721
Molecular FormulaC24H18ClNO2
Molecular Weight387.87 g/mol
Exact Mass387.10
IUPAC Name(4-methylphenyl) 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate
SMILESCc1ccc(OC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cccc23)cc1
InChIInChI=1S/C24H18ClNO2/c1-15-6-12-19(13-7-15)28-24(27)21-14-22(17-8-10-18(25)11-9-17)26-23-16(2)4-3-5-20(21)23/h3-14H,1-2H3
InChIKeyVBCXUCRUNQGYTL-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

(4-methylphenyl) 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate
CID 3837773
(4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648246
[2-(4-ethylphenyl)-2-oxoethyl] 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate
CID 3724927
8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 4746270
(2-chlorophenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648166
[2-(4-methylphenyl)-2-oxoethyl] 8-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylate
CID 3741388
(3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648258
2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 5202236
(2-methylphenyl) 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate
CID 3648252
(4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17257947
(1-oxo-1-phenylpropan-2-yl) 2-(4-methoxyphenyl)-8-methylquinoline-4-carboxylate
CID 2906526
(4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261073

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate?
The IUPAC name of (4-methylphenyl) 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate (CID 5159721) is (4-methylphenyl) 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate.
What is the SMILES notation for (4-methylphenyl) 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate?
The canonical SMILES for (4-methylphenyl) 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate is Cc1ccc(OC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cccc23)cc1.
What is the InChIKey of (4-methylphenyl) 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate?
The InChIKey is VBCXUCRUNQGYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClNO2/c1-15-6-12-19(13-7-15)28-24(27)21-14-22(17-8-10-18(25)11-9-17)26-23-16(2)4-3-5-20(21)23/h3-14H,1-2H3.
What are the key properties of (4-methylphenyl) 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate?
(4-methylphenyl) 2-(4-chlorophenyl)-8-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 (4-methylphenyl) 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate is sourced from PubChem (CID 5159721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).