2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid

C18H14BrNO2 — CID 997473

IUPAC2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid
SMILESCc1cc(C)c2nc(-c3cccc(Br)c3)cc(C(=O)O)c2c1
InChIInChI=1S/C18H14BrNO2/c1-10-6-11(2)17-14(7-10)15(18(21)22)9-16(20-17)12-4-3-5-13(19)8-12/h3-9H,1-2H3,(H,21,22)
InChIKeyDEMODZFUXXBGSV-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.98
Rot. Bonds2

About 2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid

2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid (PubChem CID 997473) has the molecular formula C18H14BrNO2 and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid
PubChem CID997473
Molecular FormulaC18H14BrNO2
Molecular Weight356.22 g/mol
Exact Mass355.02
IUPAC Name2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid
SMILESCc1cc(C)c2nc(-c3cccc(Br)c3)cc(C(=O)O)c2c1
InChIInChI=1S/C18H14BrNO2/c1-10-6-11(2)17-14(7-10)15(18(21)22)9-16(20-17)12-4-3-5-13(19)8-12/h3-9H,1-2H3,(H,21,22)
InChIKeyDEMODZFUXXBGSV-UHFFFAOYSA-N
XLogP4.98
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 60984137
6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 7048477
(4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 19648109
6,8-dimethyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
CID 5258869
(4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17257947
2-(5-bromofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
CID 104653273
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 1227056
N-(2,6-dimethylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647461
methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648155
2-(1,3-benzoxazol-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
CID 126751054
2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid
CID 63462811

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid?
The IUPAC name of 2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid (CID 997473) is 2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid is Cc1cc(C)c2nc(-c3cccc(Br)c3)cc(C(=O)O)c2c1.
What is the InChIKey of 2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid?
The InChIKey is DEMODZFUXXBGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO2/c1-10-6-11(2)17-14(7-10)15(18(21)22)9-16(20-17)12-4-3-5-13(19)8-12/h3-9H,1-2H3,(H,21,22).
What are the key properties of 2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid?
2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid has a molecular weight of 356.22 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid is sourced from PubChem (CID 997473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).