2-(4-bromophenyl)-8-chloro-6-methylquinoline-4-carboxylic acid

C17H11BrClNO2 — CID 5275528

IUPAC2-(4-bromophenyl)-8-chloro-6-methylquinoline-4-carboxylic acid
SMILESCc1cc(Cl)c2nc(-c3ccc(Br)cc3)cc(C(=O)O)c2c1
InChIInChI=1S/C17H11BrClNO2/c1-9-6-12-13(17(21)22)8-15(20-16(12)14(19)7-9)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,22)
InChIKeyDGNPBMMKWKJHTC-UHFFFAOYSA-N
MW376.64 g/mol
LogP5.32
Rot. Bonds2

About 2-(4-bromophenyl)-8-chloro-6-methylquinoline-4-carboxylic acid

2-(4-bromophenyl)-8-chloro-6-methylquinoline-4-carboxylic acid (PubChem CID 5275528) has the molecular formula C17H11BrClNO2 and a molecular weight of 376.64 g/mol. Its IUPAC name is 2-(4-bromophenyl)-8-chloro-6-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-8-chloro-6-methylquinoline-4-carboxylic acid
PubChem CID5275528
Molecular FormulaC17H11BrClNO2
Molecular Weight376.64 g/mol
Exact Mass374.97
IUPAC Name2-(4-bromophenyl)-8-chloro-6-methylquinoline-4-carboxylic acid
SMILESCc1cc(Cl)c2nc(-c3ccc(Br)cc3)cc(C(=O)O)c2c1
InChIInChI=1S/C17H11BrClNO2/c1-9-6-12-13(17(21)22)8-15(20-16(12)14(19)7-9)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,22)
InChIKeyDGNPBMMKWKJHTC-UHFFFAOYSA-N
XLogP5.32
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.64
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-8-chloro-6-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-(4-bromophenyl)-8-chloro-6-methylquinoline-4-carboxylic acid (CID 5275528) is 2-(4-bromophenyl)-8-chloro-6-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-bromophenyl)-8-chloro-6-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-bromophenyl)-8-chloro-6-methylquinoline-4-carboxylic acid is Cc1cc(Cl)c2nc(-c3ccc(Br)cc3)cc(C(=O)O)c2c1.
What is the InChIKey of 2-(4-bromophenyl)-8-chloro-6-methylquinoline-4-carboxylic acid?
The InChIKey is DGNPBMMKWKJHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrClNO2/c1-9-6-12-13(17(21)22)8-15(20-16(12)14(19)7-9)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,22).
What are the key properties of 2-(4-bromophenyl)-8-chloro-6-methylquinoline-4-carboxylic acid?
2-(4-bromophenyl)-8-chloro-6-methylquinoline-4-carboxylic acid has a molecular weight of 376.64 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-8-chloro-6-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 5275528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).