3-benzyl-2-chloroquinoline

C16H12ClN — CID 14001237

IUPAC3-benzyl-2-chloroquinoline
SMILESClc1nc2ccccc2cc1Cc1ccccc1
InChIInChI=1S/C16H12ClN/c17-16-14(10-12-6-2-1-3-7-12)11-13-8-4-5-9-15(13)18-16/h1-9,11H,10H2
InChIKeyNLILYHDGJZKAJL-UHFFFAOYSA-N
MW253.73 g/mol
LogP4.48
Rot. Bonds2

About 3-benzyl-2-chloroquinoline

3-benzyl-2-chloroquinoline (PubChem CID 14001237) has the molecular formula C16H12ClN and a molecular weight of 253.73 g/mol. Its IUPAC name is 3-benzyl-2-chloroquinoline.

Molecular Properties

Compound Name3-benzyl-2-chloroquinoline
PubChem CID14001237
Molecular FormulaC16H12ClN
Molecular Weight253.73 g/mol
Exact Mass253.07
IUPAC Name3-benzyl-2-chloroquinoline
SMILESClc1nc2ccccc2cc1Cc1ccccc1
InChIInChI=1S/C16H12ClN/c17-16-14(10-12-6-2-1-3-7-12)11-13-8-4-5-9-15(13)18-16/h1-9,11H,10H2
InChIKeyNLILYHDGJZKAJL-UHFFFAOYSA-N
XLogP4.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-benzylquinoline-2-thiolate
CID 7383405
(2-chloroquinolin-3-yl)methanamine
CID 71748539
3-benzyl-6-bromo-2-chloro-7-methylquinoline
CID 59444018
2-(2-chloroquinolin-3-yl)ethanol
CID 116985217
2-(3-benzylquinolin-2-yl)sulfanylacetamide
CID 857980
7-benzyl-2-chloro-3-ethylquinoline
CID 59459864
6-benzyl-2-chloro-3-ethylquinoline
CID 59459863
1-(2-chloroquinolin-3-yl)propan-2-one
CID 116985236
3-(2-chloroquinolin-3-yl)-N-methylpropan-1-amine
CID 116985191
4-(2-chloroquinolin-3-yl)butanoic acid
CID 116985219
2,4-dibenzylacridine
CID 175268158
2-(3-benzylquinolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 1440326

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-chloroquinoline?
The IUPAC name of 3-benzyl-2-chloroquinoline (CID 14001237) is 3-benzyl-2-chloroquinoline.
What is the SMILES notation for 3-benzyl-2-chloroquinoline?
The canonical SMILES for 3-benzyl-2-chloroquinoline is Clc1nc2ccccc2cc1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-chloroquinoline?
The InChIKey is NLILYHDGJZKAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN/c17-16-14(10-12-6-2-1-3-7-12)11-13-8-4-5-9-15(13)18-16/h1-9,11H,10H2.
What are the key properties of 3-benzyl-2-chloroquinoline?
3-benzyl-2-chloroquinoline has a molecular weight of 253.73 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-chloroquinoline is sourced from PubChem (CID 14001237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).