2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid

C18H13BrClNO2 — CID 59803970

IUPAC2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid
SMILESCc1nc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1CC(=O)O
InChIInChI=1S/C18H13BrClNO2/c1-10-14(9-17(22)23)18(11-2-5-13(20)6-3-11)15-8-12(19)4-7-16(15)21-10/h2-8H,9H2,1H3,(H,22,23)
InChIKeyMUDAEBWBOLPSTF-UHFFFAOYSA-N
MW390.66 g/mol
LogP5.25
Rot. Bonds3

About 2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid

2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid (PubChem CID 59803970) has the molecular formula C18H13BrClNO2 and a molecular weight of 390.66 g/mol. Its IUPAC name is 2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid
PubChem CID59803970
Molecular FormulaC18H13BrClNO2
Molecular Weight390.66 g/mol
Exact Mass388.98
IUPAC Name2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid
SMILESCc1nc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1CC(=O)O
InChIInChI=1S/C18H13BrClNO2/c1-10-14(9-17(22)23)18(11-2-5-13(20)6-3-11)15-8-12(19)4-7-16(15)21-10/h2-8H,9H2,1H3,(H,22,23)
InChIKeyMUDAEBWBOLPSTF-UHFFFAOYSA-N
XLogP5.25
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.66
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-Bromophenyl)quinoline-4-carboxylic acid
CID 673699
(2s)-[6-Bromo-4-(4-Chlorophenyl)-2-Methylquinolin-3-Yl](Tert-Butoxy)ethanoic Acid
CID 49770127
2-(4-Bromophenyl)-6-chloroquinoline-4-carboxylic acid
CID 1038445
6-Bromo-2-(4-bromophenyl)quinoline-4-carboxylic acid
CID 1223599
Cinchoninic acid, 6-bromo-2-phenyl-
CID 208775
6-Bromo-2-methylquinoline-4-carboxylic acid
CID 305144
7-Bromo-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 710476
2-(3-Chlorophenyl)-3-methylquinoline-4-carboxylic acid
CID 874719
2-[6-Bromo-4-(4-chlorophenyl)-2-methyl-3-quinolyl]-2-methoxy-acetic acid
CID 17757328
(2s)-[6-Bromo-4-(4-Chlorophenyl)-2-Methylquinolin-3-Yl](Methoxy)ethanoic Acid
CID 24800073
(2s)-2-(6-Chloro-2-Methyl-4-Phenylquinolin-3-Yl)pentanoic Acid
CID 45281242
2-(6-Bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl)-2-(tert-butoxy)acetic acid
CID 49770008

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid?
The IUPAC name of 2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid (CID 59803970) is 2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid?
The canonical SMILES for 2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid is Cc1nc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1CC(=O)O.
What is the InChIKey of 2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid?
The InChIKey is MUDAEBWBOLPSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClNO2/c1-10-14(9-17(22)23)18(11-2-5-13(20)6-3-11)15-8-12(19)4-7-16(15)21-10/h2-8H,9H2,1H3,(H,22,23).
What are the key properties of 2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid?
2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid has a molecular weight of 390.66 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]acetic acid is sourced from PubChem (CID 59803970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).