2-[3-(bromomethyl)phenyl]-4-chloroquinoline

C16H11BrClN — CID 11809748

IUPAC2-[3-(bromomethyl)phenyl]-4-chloroquinoline
SMILESClc1cc(-c2cccc(CBr)c2)nc2ccccc12
InChIInChI=1S/C16H11BrClN/c17-10-11-4-3-5-12(8-11)16-9-14(18)13-6-1-2-7-15(13)19-16/h1-9H,10H2
InChIKeyBSLZYSCNJIWYLC-UHFFFAOYSA-N
MW332.63 g/mol
LogP5.45
Rot. Bonds2

About 2-[3-(bromomethyl)phenyl]-4-chloroquinoline

2-[3-(bromomethyl)phenyl]-4-chloroquinoline (PubChem CID 11809748) has the molecular formula C16H11BrClN and a molecular weight of 332.63 g/mol. Its IUPAC name is 2-[3-(bromomethyl)phenyl]-4-chloroquinoline.

Molecular Properties

Compound Name2-[3-(bromomethyl)phenyl]-4-chloroquinoline
PubChem CID11809748
Molecular FormulaC16H11BrClN
Molecular Weight332.63 g/mol
Exact Mass330.98
IUPAC Name2-[3-(bromomethyl)phenyl]-4-chloroquinoline
SMILESClc1cc(-c2cccc(CBr)c2)nc2ccccc12
InChIInChI=1S/C16H11BrClN/c17-10-11-4-3-5-12(8-11)16-9-14(18)13-6-1-2-7-15(13)19-16/h1-9H,10H2
InChIKeyBSLZYSCNJIWYLC-UHFFFAOYSA-N
XLogP5.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.63
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(bromomethyl)-3-(2-phenylphenyl)benzene
CID 67009845
4-chloro-2-(3-chloro-4-methoxyphenyl)quinoline
CID 18432969
2-(1,3-benzodioxol-5-yl)-4-chloroquinoline
CID 58658852
N-benzyl-4-chloroquinolin-2-amine
CID 146441058
2-(3-butylphenyl)-4-phenylquinoline
CID 141357650
4-chloro-2-[2-(3-chlorophenyl)ethyl]quinoline
CID 23614355
4-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline
CID 10861098
4-chloro-2-pyridin-2-ylquinoline
CID 24903559
2-[5-[3-(bromomethyl)phenyl]thiophen-2-yl]-1,3-benzothiazole
CID 142679329
4-chloro-2-(1H-pyrazol-5-yl)quinoline
CID 167779045
2-phenyl-4-phenylmethoxyquinoline
CID 14954067
3-[2-(3-chlorophenyl)quinolin-4-yl]propanoic acid;hydrochloride
CID 170330550

Frequently Asked Questions

What is the IUPAC name of 2-[3-(bromomethyl)phenyl]-4-chloroquinoline?
The IUPAC name of 2-[3-(bromomethyl)phenyl]-4-chloroquinoline (CID 11809748) is 2-[3-(bromomethyl)phenyl]-4-chloroquinoline.
What is the SMILES notation for 2-[3-(bromomethyl)phenyl]-4-chloroquinoline?
The canonical SMILES for 2-[3-(bromomethyl)phenyl]-4-chloroquinoline is Clc1cc(-c2cccc(CBr)c2)nc2ccccc12.
What is the InChIKey of 2-[3-(bromomethyl)phenyl]-4-chloroquinoline?
The InChIKey is BSLZYSCNJIWYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClN/c17-10-11-4-3-5-12(8-11)16-9-14(18)13-6-1-2-7-15(13)19-16/h1-9H,10H2.
What are the key properties of 2-[3-(bromomethyl)phenyl]-4-chloroquinoline?
2-[3-(bromomethyl)phenyl]-4-chloroquinoline has a molecular weight of 332.63 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(bromomethyl)phenyl]-4-chloroquinoline is sourced from PubChem (CID 11809748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).