2-(1-chloroethyl)quinoline

C11H10ClN — CID 14750485

IUPAC2-(1-chloroethyl)quinoline
SMILESCC(Cl)c1ccc2ccccc2n1
InChIInChI=1S/C11H10ClN/c1-8(12)10-7-6-9-4-2-3-5-11(9)13-10/h2-8H,1H3
InChIKeySPBQMQLTSMVQKI-UHFFFAOYSA-N
MW191.66 g/mol
LogP3.53
Rot. Bonds1

About 2-(1-chloroethyl)quinoline

2-(1-chloroethyl)quinoline (PubChem CID 14750485) has the molecular formula C11H10ClN and a molecular weight of 191.66 g/mol. Its IUPAC name is 2-(1-chloroethyl)quinoline.

Molecular Properties

Compound Name2-(1-chloroethyl)quinoline
PubChem CID14750485
Molecular FormulaC11H10ClN
Molecular Weight191.66 g/mol
Exact Mass191.05
IUPAC Name2-(1-chloroethyl)quinoline
SMILESCC(Cl)c1ccc2ccccc2n1
InChIInChI=1S/C11H10ClN/c1-8(12)10-7-6-9-4-2-3-5-11(9)13-10/h2-8H,1H3
InChIKeySPBQMQLTSMVQKI-UHFFFAOYSA-N
XLogP3.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 53.53
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

methane;2-propan-2-ylquinoline
CID 161334581
ethane;2-propan-2-ylquinoline
CID 142538504
2-[(1R)-1-fluoroethyl]quinoline
CID 146161668
(1S)-1-quinolin-2-ylethanamine;hydrochloride
CID 171236571
(1R)-1-quinolin-2-ylethanamine;hydrochloride
CID 171216934
amino(quinolin-2-yl)methanol
CID 154237779
2-(1-azidoethyl)quinoline
CID 126509535
(1S)-1-quinolin-2-ylpropan-1-amine;hydrochloride
CID 171236572
3-methyl-1-quinolin-2-ylpentan-1-amine
CID 63222429
2-[[4-(1-chloroethyl)triazol-1-yl]methyl]quinoline
CID 81448345
(1R)-1-quinolin-2-ylbutane-1,4-diamine
CID 171216930
(1S)-1-quinolin-2-ylbutane-1,4-diamine
CID 171236567

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)quinoline?
The IUPAC name of 2-(1-chloroethyl)quinoline (CID 14750485) is 2-(1-chloroethyl)quinoline.
What is the SMILES notation for 2-(1-chloroethyl)quinoline?
The canonical SMILES for 2-(1-chloroethyl)quinoline is CC(Cl)c1ccc2ccccc2n1.
What is the InChIKey of 2-(1-chloroethyl)quinoline?
The InChIKey is SPBQMQLTSMVQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN/c1-8(12)10-7-6-9-4-2-3-5-11(9)13-10/h2-8H,1H3.
What are the key properties of 2-(1-chloroethyl)quinoline?
2-(1-chloroethyl)quinoline has a molecular weight of 191.66 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)quinoline is sourced from PubChem (CID 14750485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).