6-bromo-2-(4-fluorophenyl)-7,8-dimethylquinoline-4-carboxylic acid

C18H13BrFNO2 — CID 4712144

IUPAC6-bromo-2-(4-fluorophenyl)-7,8-dimethylquinoline-4-carboxylic acid
SMILESCc1c(Br)cc2c(C(=O)O)cc(-c3ccc(F)cc3)nc2c1C
InChIInChI=1S/C18H13BrFNO2/c1-9-10(2)17-13(7-15(9)19)14(18(22)23)8-16(21-17)11-3-5-12(20)6-4-11/h3-8H,1-2H3,(H,22,23)
InChIKeyDCFDMKRLPYZLED-UHFFFAOYSA-N
MW374.21 g/mol
LogP5.12
Rot. Bonds2

About 6-bromo-2-(4-fluorophenyl)-7,8-dimethylquinoline-4-carboxylic acid

6-bromo-2-(4-fluorophenyl)-7,8-dimethylquinoline-4-carboxylic acid (PubChem CID 4712144) has the molecular formula C18H13BrFNO2 and a molecular weight of 374.21 g/mol. Its IUPAC name is 6-bromo-2-(4-fluorophenyl)-7,8-dimethylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-(4-fluorophenyl)-7,8-dimethylquinoline-4-carboxylic acid
PubChem CID4712144
Molecular FormulaC18H13BrFNO2
Molecular Weight374.21 g/mol
Exact Mass373.01
IUPAC Name6-bromo-2-(4-fluorophenyl)-7,8-dimethylquinoline-4-carboxylic acid
SMILESCc1c(Br)cc2c(C(=O)O)cc(-c3ccc(F)cc3)nc2c1C
InChIInChI=1S/C18H13BrFNO2/c1-9-10(2)17-13(7-15(9)19)14(18(22)23)8-16(21-17)11-3-5-12(20)6-4-11/h3-8H,1-2H3,(H,22,23)
InChIKeyDCFDMKRLPYZLED-UHFFFAOYSA-N
XLogP5.12
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.21
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 1227056
N-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647594
8-fluoro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid
CID 163825423
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
N-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17258584
8-bromo-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 4261180
5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 131986798
6,8-dimethyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
CID 5258869
6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 4595679
2-chloro-6-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 46313848
8-bromo-2,6-dimethylquinoline-4-carboxylic acid
CID 82184081
2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid
CID 997473

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-fluorophenyl)-7,8-dimethylquinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-2-(4-fluorophenyl)-7,8-dimethylquinoline-4-carboxylic acid (CID 4712144) is 6-bromo-2-(4-fluorophenyl)-7,8-dimethylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-2-(4-fluorophenyl)-7,8-dimethylquinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-2-(4-fluorophenyl)-7,8-dimethylquinoline-4-carboxylic acid is Cc1c(Br)cc2c(C(=O)O)cc(-c3ccc(F)cc3)nc2c1C.
What is the InChIKey of 6-bromo-2-(4-fluorophenyl)-7,8-dimethylquinoline-4-carboxylic acid?
The InChIKey is DCFDMKRLPYZLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFNO2/c1-9-10(2)17-13(7-15(9)19)14(18(22)23)8-16(21-17)11-3-5-12(20)6-4-11/h3-8H,1-2H3,(H,22,23).
What are the key properties of 6-bromo-2-(4-fluorophenyl)-7,8-dimethylquinoline-4-carboxylic acid?
6-bromo-2-(4-fluorophenyl)-7,8-dimethylquinoline-4-carboxylic acid has a molecular weight of 374.21 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-fluorophenyl)-7,8-dimethylquinoline-4-carboxylic acid is sourced from PubChem (CID 4712144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).