(3,4-dichlorophenyl)methyl 2-(4-bromophenyl)-6-chloro-8-methylquinoline-4-carboxylate

C24H15BrCl3NO2 — CID 5275537

IUPAC(3,4-dichlorophenyl)methyl 2-(4-bromophenyl)-6-chloro-8-methylquinoline-4-carboxylate
SMILESCc1cc(Cl)cc2c(C(=O)OCc3ccc(Cl)c(Cl)c3)cc(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C24H15BrCl3NO2/c1-13-8-17(26)10-18-19(24(30)31-12-14-2-7-20(27)21(28)9-14)11-22(29-23(13)18)15-3-5-16(25)6-4-15/h2-11H,12H2,1H3
InChIKeyVNPWROBHJGLIMQ-UHFFFAOYSA-N
MW535.65 g/mol
LogP8.29
Rot. Bonds4

About (3,4-dichlorophenyl)methyl 2-(4-bromophenyl)-6-chloro-8-methylquinoline-4-carboxylate

(3,4-dichlorophenyl)methyl 2-(4-bromophenyl)-6-chloro-8-methylquinoline-4-carboxylate (PubChem CID 5275537) has the molecular formula C24H15BrCl3NO2 and a molecular weight of 535.65 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl 2-(4-bromophenyl)-6-chloro-8-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl 2-(4-bromophenyl)-6-chloro-8-methylquinoline-4-carboxylate
PubChem CID5275537
Molecular FormulaC24H15BrCl3NO2
Molecular Weight535.65 g/mol
Exact Mass532.94
IUPAC Name(3,4-dichlorophenyl)methyl 2-(4-bromophenyl)-6-chloro-8-methylquinoline-4-carboxylate
SMILESCc1cc(Cl)cc2c(C(=O)OCc3ccc(Cl)c(Cl)c3)cc(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C24H15BrCl3NO2/c1-13-8-17(26)10-18-19(24(30)31-12-14-2-7-20(27)21(28)9-14)11-22(29-23(13)18)15-3-5-16(25)6-4-15/h2-11H,12H2,1H3
InChIKeyVNPWROBHJGLIMQ-UHFFFAOYSA-N
XLogP8.29
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3,4-dichlorophenyl)methyl 2-(4-bromophenyl)-6-chloro-8-methylquinoline-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl 2-(4-bromophenyl)-6-chloro-8-methylquinoline-4-carboxylate?
The IUPAC name of (3,4-dichlorophenyl)methyl 2-(4-bromophenyl)-6-chloro-8-methylquinoline-4-carboxylate (CID 5275537) is (3,4-dichlorophenyl)methyl 2-(4-bromophenyl)-6-chloro-8-methylquinoline-4-carboxylate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl 2-(4-bromophenyl)-6-chloro-8-methylquinoline-4-carboxylate?
The canonical SMILES for (3,4-dichlorophenyl)methyl 2-(4-bromophenyl)-6-chloro-8-methylquinoline-4-carboxylate is Cc1cc(Cl)cc2c(C(=O)OCc3ccc(Cl)c(Cl)c3)cc(-c3ccc(Br)cc3)nc12.
What is the InChIKey of (3,4-dichlorophenyl)methyl 2-(4-bromophenyl)-6-chloro-8-methylquinoline-4-carboxylate?
The InChIKey is VNPWROBHJGLIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrCl3NO2/c1-13-8-17(26)10-18-19(24(30)31-12-14-2-7-20(27)21(28)9-14)11-22(29-23(13)18)15-3-5-16(25)6-4-15/h2-11H,12H2,1H3.
What are the key properties of (3,4-dichlorophenyl)methyl 2-(4-bromophenyl)-6-chloro-8-methylquinoline-4-carboxylate?
(3,4-dichlorophenyl)methyl 2-(4-bromophenyl)-6-chloro-8-methylquinoline-4-carboxylate has a molecular weight of 535.65 g/mol, XLogP of 8.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl 2-(4-bromophenyl)-6-chloro-8-methylquinoline-4-carboxylate is sourced from PubChem (CID 5275537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).