2-azido-3-(2-chloroethyl)quinoline

C11H9ClN4 — CID 95994762

IUPAC2-azido-3-(2-chloroethyl)quinoline
SMILES[N-]=[N+]=Nc1nc2ccccc2cc1CCCl
InChIInChI=1S/C11H9ClN4/c12-6-5-9-7-8-3-1-2-4-10(8)14-11(9)15-16-13/h1-4,7H,5-6H2
InChIKeyVNCLCKTZAICSBV-UHFFFAOYSA-N
MW232.67 g/mol
LogP3.96
Rot. Bonds3

About 2-azido-3-(2-chloroethyl)quinoline

2-azido-3-(2-chloroethyl)quinoline (PubChem CID 95994762) has the molecular formula C11H9ClN4 and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-azido-3-(2-chloroethyl)quinoline.

Molecular Properties

Compound Name2-azido-3-(2-chloroethyl)quinoline
PubChem CID95994762
Molecular FormulaC11H9ClN4
Molecular Weight232.67 g/mol
Exact Mass232.05
IUPAC Name2-azido-3-(2-chloroethyl)quinoline
SMILES[N-]=[N+]=Nc1nc2ccccc2cc1CCCl
InChIInChI=1S/C11H9ClN4/c12-6-5-9-7-8-3-1-2-4-10(8)14-11(9)15-16-13/h1-4,7H,5-6H2
InChIKeyVNCLCKTZAICSBV-UHFFFAOYSA-N
XLogP3.96
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-azido-3-(2-chloroethyl)-6-methoxyquinoline
CID 95994765
2-bromo-3-(2-chloroethyl)quinoline
CID 116985321
3-(azidomethyl)-2-pentylquinoline
CID 174594811
2-(2-chloroquinolin-3-yl)ethanol
CID 116985217
3-azido-1-(2-chloroquinolin-3-yl)propane-1,2-diol
CID 170826792
acridine
CID 21226281
(2-chloroquinolin-3-yl)methanamine
CID 71748539
3-[2-bromo-3-(2-chloroethyl)phenoxy]-2-methylquinoline
CID 129079709
2,3-diazido-5,6-diphenylpyrazine
CID 14641970
2,4-diazidoquinoline-3-carbonitrile
CID 10657437
acridine;methane
CID 21324126
acridine;iron
CID 158030240

Frequently Asked Questions

What is the IUPAC name of 2-azido-3-(2-chloroethyl)quinoline?
The IUPAC name of 2-azido-3-(2-chloroethyl)quinoline (CID 95994762) is 2-azido-3-(2-chloroethyl)quinoline.
What is the SMILES notation for 2-azido-3-(2-chloroethyl)quinoline?
The canonical SMILES for 2-azido-3-(2-chloroethyl)quinoline is [N-]=[N+]=Nc1nc2ccccc2cc1CCCl.
What is the InChIKey of 2-azido-3-(2-chloroethyl)quinoline?
The InChIKey is VNCLCKTZAICSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4/c12-6-5-9-7-8-3-1-2-4-10(8)14-11(9)15-16-13/h1-4,7H,5-6H2.
What are the key properties of 2-azido-3-(2-chloroethyl)quinoline?
2-azido-3-(2-chloroethyl)quinoline has a molecular weight of 232.67 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-3-(2-chloroethyl)quinoline is sourced from PubChem (CID 95994762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).