(2-chlorophenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxylate

C24H17Cl2NO2 — CID 19648166

IUPAC(2-chlorophenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxylate
SMILESCc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)Oc3ccccc3Cl)c2c1
InChIInChI=1S/C24H17Cl2NO2/c1-14-11-15(2)23-18(12-14)19(24(28)29-22-6-4-3-5-20(22)26)13-21(27-23)16-7-9-17(25)10-8-16/h3-13H,1-2H3
InChIKeyOYSTZSMOUSSKHR-UHFFFAOYSA-N
MW422.31 g/mol
LogP7.04
Rot. Bonds3

About (2-chlorophenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxylate

(2-chlorophenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxylate (PubChem CID 19648166) has the molecular formula C24H17Cl2NO2 and a molecular weight of 422.31 g/mol. Its IUPAC name is (2-chlorophenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxylate.

Molecular Properties

Compound Name(2-chlorophenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxylate
PubChem CID19648166
Molecular FormulaC24H17Cl2NO2
Molecular Weight422.31 g/mol
Exact Mass421.06
IUPAC Name(2-chlorophenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxylate
SMILESCc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)Oc3ccccc3Cl)c2c1
InChIInChI=1S/C24H17Cl2NO2/c1-14-11-15(2)23-18(12-14)19(24(28)29-22-6-4-3-5-20(22)26)13-21(27-23)16-7-9-17(25)10-8-16/h3-13H,1-2H3
InChIKeyOYSTZSMOUSSKHR-UHFFFAOYSA-N
XLogP7.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.31
LogP ≤ 57.04
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

quinolin-8-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648243
(4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648246
(2-methylphenyl) 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate
CID 3648252
quinolin-8-yl 6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 19648116
N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 5026122
(2,5-dimethylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261744
(4-methylphenyl) 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate
CID 5159721
(2-butan-2-ylphenyl) 2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648224
(4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17257947
(3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648258
(4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 19648109
N-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647542

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxylate?
The IUPAC name of (2-chlorophenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxylate (CID 19648166) is (2-chlorophenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxylate.
What is the SMILES notation for (2-chlorophenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxylate?
The canonical SMILES for (2-chlorophenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxylate is Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)Oc3ccccc3Cl)c2c1.
What is the InChIKey of (2-chlorophenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxylate?
The InChIKey is OYSTZSMOUSSKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2NO2/c1-14-11-15(2)23-18(12-14)19(24(28)29-22-6-4-3-5-20(22)26)13-21(27-23)16-7-9-17(25)10-8-16/h3-13H,1-2H3.
What are the key properties of (2-chlorophenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxylate?
(2-chlorophenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxylate has a molecular weight of 422.31 g/mol, XLogP of 7.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxylate is sourced from PubChem (CID 19648166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).