6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid

C11H7BrClNO2 — CID 82184087

IUPAC6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2cc(Br)cc(Cl)c2n1
InChIInChI=1S/C11H7BrClNO2/c1-5-2-8(11(15)16)7-3-6(12)4-9(13)10(7)14-5/h2-4H,1H3,(H,15,16)
InChIKeyQPNWOALRLQOOGW-UHFFFAOYSA-N
MW300.54 g/mol
LogP3.66
Rot. Bonds1

About 6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid

6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid (PubChem CID 82184087) has the molecular formula C11H7BrClNO2 and a molecular weight of 300.54 g/mol. Its IUPAC name is 6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid
PubChem CID82184087
Molecular FormulaC11H7BrClNO2
Molecular Weight300.54 g/mol
Exact Mass298.93
IUPAC Name6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2cc(Br)cc(Cl)c2n1
InChIInChI=1S/C11H7BrClNO2/c1-5-2-8(11(15)16)7-3-6(12)4-9(13)10(7)14-5/h2-4H,1H3,(H,15,16)
InChIKeyQPNWOALRLQOOGW-UHFFFAOYSA-N
XLogP3.66
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-2,6-dimethylquinoline-4-carboxylic acid
CID 82184081
5,6,8-trichloro-2-methylquinoline-4-carboxylic acid
CID 82574812
6-chloro-8-hydroxy-2-methylquinoline-4-carboxylic acid
CID 154201700
4-chloro-2,6-dimethylquinoline-8-carboxylic acid
CID 82574820
5-bromo-3-chloro-2-trimethylsilyloxybenzoic acid
CID 167718232
6-bromo-4-chloro-2,3-dimethylquinoline-8-carboxylic acid
CID 175016317
methyl 6,8-dichloro-2-methylquinoline-4-carboxylate
CID 82574672
4-bromo-8-chloro-2,6-dimethylquinoline
CID 39346163
6-bromo-4-chloro-8-methylquinoline-3-carboxylic acid
CID 131289686
6-chloro-2,4-dimethylquinoline-8-carboxylic acid
CID 82574745
7-bromo-1,5-dichloroisoquinoline-3-carboxylic acid
CID 114517761
2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid
CID 82449379

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid (CID 82184087) is 6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid is Cc1cc(C(=O)O)c2cc(Br)cc(Cl)c2n1.
What is the InChIKey of 6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid?
The InChIKey is QPNWOALRLQOOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNO2/c1-5-2-8(11(15)16)7-3-6(12)4-9(13)10(7)14-5/h2-4H,1H3,(H,15,16).
What are the key properties of 6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid?
6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid has a molecular weight of 300.54 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 82184087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).