6-bromo-4-chloro-8-methylquinoline-3-carboxylic acid

C11H7BrClNO2 — CID 131289686

IUPAC6-bromo-4-chloro-8-methylquinoline-3-carboxylic acid
SMILESCc1cc(Br)cc2c(Cl)c(C(=O)O)cnc12
InChIInChI=1S/C11H7BrClNO2/c1-5-2-6(12)3-7-9(13)8(11(15)16)4-14-10(5)7/h2-4H,1H3,(H,15,16)
InChIKeyDMPRQDQRUJOKQH-UHFFFAOYSA-N
MW300.54 g/mol
LogP3.66
Rot. Bonds1

About 6-bromo-4-chloro-8-methylquinoline-3-carboxylic acid

6-bromo-4-chloro-8-methylquinoline-3-carboxylic acid (PubChem CID 131289686) has the molecular formula C11H7BrClNO2 and a molecular weight of 300.54 g/mol. Its IUPAC name is 6-bromo-4-chloro-8-methylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-4-chloro-8-methylquinoline-3-carboxylic acid
PubChem CID131289686
Molecular FormulaC11H7BrClNO2
Molecular Weight300.54 g/mol
Exact Mass298.93
IUPAC Name6-bromo-4-chloro-8-methylquinoline-3-carboxylic acid
SMILESCc1cc(Br)cc2c(Cl)c(C(=O)O)cnc12
InChIInChI=1S/C11H7BrClNO2/c1-5-2-6(12)3-7-9(13)8(11(15)16)4-14-10(5)7/h2-4H,1H3,(H,15,16)
InChIKeyDMPRQDQRUJOKQH-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

4-bromo-6-fluoro-8-methylquinoline-3-carboxylic acid
CID 97033444
4,6,8-trichloroquinoline-3-carboxylic acid
CID 86810509
6-bromo-4-chloro-2,3-dimethylquinoline-8-carboxylic acid
CID 175016317
methyl 4,6-dichloro-8-methylquinoline-3-carboxylate
CID 102614436
ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate
CID 3352918
4-bromo-5-chloro-6-methylpyridine-3-carboxylic acid
CID 71757352
6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid
CID 82184087
6-bromo-2-cyclopropyl-8-methylquinoline-4-carboxylic acid
CID 60984276
6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 60984137
ethyl 3-carbamoyl-4-chloro-8-methylquinoline-6-carboxylate
CID 58946108
2,5-dibromo-3-methylbenzoic acid
CID 11850381
4,5,7-trichloro-8-methoxyquinoline-3-carboxylic acid
CID 141084525

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-8-methylquinoline-3-carboxylic acid?
The IUPAC name of 6-bromo-4-chloro-8-methylquinoline-3-carboxylic acid (CID 131289686) is 6-bromo-4-chloro-8-methylquinoline-3-carboxylic acid.
What is the SMILES notation for 6-bromo-4-chloro-8-methylquinoline-3-carboxylic acid?
The canonical SMILES for 6-bromo-4-chloro-8-methylquinoline-3-carboxylic acid is Cc1cc(Br)cc2c(Cl)c(C(=O)O)cnc12.
What is the InChIKey of 6-bromo-4-chloro-8-methylquinoline-3-carboxylic acid?
The InChIKey is DMPRQDQRUJOKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNO2/c1-5-2-6(12)3-7-9(13)8(11(15)16)4-14-10(5)7/h2-4H,1H3,(H,15,16).
What are the key properties of 6-bromo-4-chloro-8-methylquinoline-3-carboxylic acid?
6-bromo-4-chloro-8-methylquinoline-3-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-4-chloro-8-methylquinoline-3-carboxylic acid is sourced from PubChem (CID 131289686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).