3-(2-bromophenyl)-4-chloro-2-methylquinoline

C16H11BrClN — CID 164671168

IUPAC3-(2-bromophenyl)-4-chloro-2-methylquinoline
SMILESCc1nc2ccccc2c(Cl)c1-c1ccccc1Br
InChIInChI=1S/C16H11BrClN/c1-10-15(11-6-2-4-8-13(11)17)16(18)12-7-3-5-9-14(12)19-10/h2-9H,1H3
InChIKeyFKSIIYACAAUXNM-UHFFFAOYSA-N
MW332.63 g/mol
LogP5.63
Rot. Bonds1

About 3-(2-bromophenyl)-4-chloro-2-methylquinoline

3-(2-bromophenyl)-4-chloro-2-methylquinoline (PubChem CID 164671168) has the molecular formula C16H11BrClN and a molecular weight of 332.63 g/mol. Its IUPAC name is 3-(2-bromophenyl)-4-chloro-2-methylquinoline.

Molecular Properties

Compound Name3-(2-bromophenyl)-4-chloro-2-methylquinoline
PubChem CID164671168
Molecular FormulaC16H11BrClN
Molecular Weight332.63 g/mol
Exact Mass330.98
IUPAC Name3-(2-bromophenyl)-4-chloro-2-methylquinoline
SMILESCc1nc2ccccc2c(Cl)c1-c1ccccc1Br
InChIInChI=1S/C16H11BrClN/c1-10-15(11-6-2-4-8-13(11)17)16(18)12-7-3-5-9-14(12)19-10/h2-9H,1H3
InChIKeyFKSIIYACAAUXNM-UHFFFAOYSA-N
XLogP5.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.63
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromophenyl)-N-butyl-4-chloroquinolin-2-amine
CID 72701858
3,4-dichloro-2-methylquinoline;platinum
CID 159361617
4-chloro-3-ethenyl-2-methylquinoline
CID 58125410
9-(2-bromophenyl)-3-chloro-10-methylphenanthrene
CID 146568672
4-chloro-2-methyl-3-nitroquinoline
CID 12673397
5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine
CID 79435454
4-(2-bromophenyl)-2,5,6-trimethylpyridin-3-amine
CID 22951013
3-bromo-2-methylquinolin-4-amine;hydrochloride
CID 3022129
3-bromo-4-methoxy-2-methylquinoline
CID 50915397
1-[5-(2-bromophenyl)-4,6-dichloropyrimidin-2-yl]-N,N-dimethylmethanamine
CID 79439579
2,3-dimethyl-6,7-diphenylquinoxaline
CID 163197223
1-bromo-2-(2-bromophenyl)-3-chlorobenzene
CID 67154117

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-4-chloro-2-methylquinoline?
The IUPAC name of 3-(2-bromophenyl)-4-chloro-2-methylquinoline (CID 164671168) is 3-(2-bromophenyl)-4-chloro-2-methylquinoline.
What is the SMILES notation for 3-(2-bromophenyl)-4-chloro-2-methylquinoline?
The canonical SMILES for 3-(2-bromophenyl)-4-chloro-2-methylquinoline is Cc1nc2ccccc2c(Cl)c1-c1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-4-chloro-2-methylquinoline?
The InChIKey is FKSIIYACAAUXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClN/c1-10-15(11-6-2-4-8-13(11)17)16(18)12-7-3-5-9-14(12)19-10/h2-9H,1H3.
What are the key properties of 3-(2-bromophenyl)-4-chloro-2-methylquinoline?
3-(2-bromophenyl)-4-chloro-2-methylquinoline has a molecular weight of 332.63 g/mol, XLogP of 5.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-4-chloro-2-methylquinoline is sourced from PubChem (CID 164671168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).