8-bromo-2-chloro-6-methylquinoline-4-carbonyl chloride

C11H6BrCl2NO — CID 170753013

IUPAC8-bromo-2-chloro-6-methylquinoline-4-carbonyl chloride
SMILESCc1cc(Br)c2nc(Cl)cc(C(=O)Cl)c2c1
InChIInChI=1S/C11H6BrCl2NO/c1-5-2-6-7(11(14)16)4-9(13)15-10(6)8(12)3-5/h2-4H,1H3
InChIKeyXDJPXRKPGATZQT-UHFFFAOYSA-N
MW318.99 g/mol
LogP4.34
Rot. Bonds1

About 8-bromo-2-chloro-6-methylquinoline-4-carbonyl chloride

8-bromo-2-chloro-6-methylquinoline-4-carbonyl chloride (PubChem CID 170753013) has the molecular formula C11H6BrCl2NO and a molecular weight of 318.99 g/mol. Its IUPAC name is 8-bromo-2-chloro-6-methylquinoline-4-carbonyl chloride.

Molecular Properties

Compound Name8-bromo-2-chloro-6-methylquinoline-4-carbonyl chloride
PubChem CID170753013
Molecular FormulaC11H6BrCl2NO
Molecular Weight318.99 g/mol
Exact Mass316.90
IUPAC Name8-bromo-2-chloro-6-methylquinoline-4-carbonyl chloride
SMILESCc1cc(Br)c2nc(Cl)cc(C(=O)Cl)c2c1
InChIInChI=1S/C11H6BrCl2NO/c1-5-2-6-7(11(14)16)4-9(13)15-10(6)8(12)3-5/h2-4H,1H3
InChIKeyXDJPXRKPGATZQT-UHFFFAOYSA-N
XLogP4.34
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.99
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

8-bromo-2,6-dimethylquinoline-4-carboxylic acid
CID 82184081
8-bromo-2-chloro-6-fluoroquinoline-4-carboxylic acid
CID 82184176
8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 1227056
8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid
CID 82184119
4,8-dibromo-3-chloro-2,6-dimethylquinoline
CID 121236438
(8-bromo-4-chloro-6-methylquinazolin-2-yl)methanol
CID 174656084
8-bromo-2-chloro-6-methyl-3-propan-2-ylquinazolin-4-one
CID 170753339
8-bromo-2-chloro-6-methylquinoxaline
CID 15239007
2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CID 46779377
8-bromo-2-chloro-3-cyclopropyl-6-methylquinazolin-4-one
CID 170450465
8-bromo-4-chloro-6-methyl-2-propylquinazoline
CID 106584204
4-bromo-8-chloro-2,6-dimethylquinoline
CID 39346163

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-chloro-6-methylquinoline-4-carbonyl chloride?
The IUPAC name of 8-bromo-2-chloro-6-methylquinoline-4-carbonyl chloride (CID 170753013) is 8-bromo-2-chloro-6-methylquinoline-4-carbonyl chloride.
What is the SMILES notation for 8-bromo-2-chloro-6-methylquinoline-4-carbonyl chloride?
The canonical SMILES for 8-bromo-2-chloro-6-methylquinoline-4-carbonyl chloride is Cc1cc(Br)c2nc(Cl)cc(C(=O)Cl)c2c1.
What is the InChIKey of 8-bromo-2-chloro-6-methylquinoline-4-carbonyl chloride?
The InChIKey is XDJPXRKPGATZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2NO/c1-5-2-6-7(11(14)16)4-9(13)15-10(6)8(12)3-5/h2-4H,1H3.
What are the key properties of 8-bromo-2-chloro-6-methylquinoline-4-carbonyl chloride?
8-bromo-2-chloro-6-methylquinoline-4-carbonyl chloride has a molecular weight of 318.99 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-chloro-6-methylquinoline-4-carbonyl chloride is sourced from PubChem (CID 170753013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).