3-bromo-2-(3-chlorophenyl)-4-methylquinoline

C16H11BrClN — CID 29301768

IUPAC3-bromo-2-(3-chlorophenyl)-4-methylquinoline
SMILESCc1c(Br)c(-c2cccc(Cl)c2)nc2ccccc12
InChIInChI=1S/C16H11BrClN/c1-10-13-7-2-3-8-14(13)19-16(15(10)17)11-5-4-6-12(18)9-11/h2-9H,1H3
InChIKeyZQQQVPUCZLKLGG-UHFFFAOYSA-N
MW332.63 g/mol
LogP5.63
Rot. Bonds1

About 3-bromo-2-(3-chlorophenyl)-4-methylquinoline

3-bromo-2-(3-chlorophenyl)-4-methylquinoline (PubChem CID 29301768) has the molecular formula C16H11BrClN and a molecular weight of 332.63 g/mol. Its IUPAC name is 3-bromo-2-(3-chlorophenyl)-4-methylquinoline.

Molecular Properties

Compound Name3-bromo-2-(3-chlorophenyl)-4-methylquinoline
PubChem CID29301768
Molecular FormulaC16H11BrClN
Molecular Weight332.63 g/mol
Exact Mass330.98
IUPAC Name3-bromo-2-(3-chlorophenyl)-4-methylquinoline
SMILESCc1c(Br)c(-c2cccc(Cl)c2)nc2ccccc12
InChIInChI=1S/C16H11BrClN/c1-10-13-7-2-3-8-14(13)19-16(15(10)17)11-5-4-6-12(18)9-11/h2-9H,1H3
InChIKeyZQQQVPUCZLKLGG-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

6-[6-(3-chlorophenyl)-2-pyridinyl]phenanthridine
CID 171832740
(2-amino-2-oxoethyl) 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
CID 2380079
2-(2-fluorophenoxy)ethyl 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
CID 2410604
4-(3-chloro-4-methylquinolin-2-yl)benzene-1,2-diol
CID 135950031
[2-(diethylamino)-2-oxoethyl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
CID 2580492
4-(3-chlorophenyl)-2-(5-methoxy-6-methyl-2-pyridinyl)quinazoline
CID 67701962
2-(3-chlorophenyl)-4-naphthalen-1-ylquinazoline
CID 139365483
4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one
CID 135453967
1H-benzimidazol-2-ylmethyl 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
CID 2453853
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
[(3R)-2-oxooxolan-3-yl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
CID 2580520
[2-(benzhydrylamino)-2-oxoethyl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
CID 2366069

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3-chlorophenyl)-4-methylquinoline?
The IUPAC name of 3-bromo-2-(3-chlorophenyl)-4-methylquinoline (CID 29301768) is 3-bromo-2-(3-chlorophenyl)-4-methylquinoline.
What is the SMILES notation for 3-bromo-2-(3-chlorophenyl)-4-methylquinoline?
The canonical SMILES for 3-bromo-2-(3-chlorophenyl)-4-methylquinoline is Cc1c(Br)c(-c2cccc(Cl)c2)nc2ccccc12.
What is the InChIKey of 3-bromo-2-(3-chlorophenyl)-4-methylquinoline?
The InChIKey is ZQQQVPUCZLKLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClN/c1-10-13-7-2-3-8-14(13)19-16(15(10)17)11-5-4-6-12(18)9-11/h2-9H,1H3.
What are the key properties of 3-bromo-2-(3-chlorophenyl)-4-methylquinoline?
3-bromo-2-(3-chlorophenyl)-4-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-bromo-2-(3-chlorophenyl)-4-methylquinoline is sourced from PubChem (CID 29301768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).