2-azido-3-(2-chloroethyl)-6-methoxyquinoline

C12H11ClN4O — CID 95994765

IUPAC2-azido-3-(2-chloroethyl)-6-methoxyquinoline
SMILESCOc1ccc2nc(N=[N+]=[N-])c(CCCl)cc2c1
InChIInChI=1S/C12H11ClN4O/c1-18-10-2-3-11-9(7-10)6-8(4-5-13)12(15-11)16-17-14/h2-3,6-7H,4-5H2,1H3
InChIKeyFHOWYTJOQOMWCX-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.97
Rot. Bonds4

About 2-azido-3-(2-chloroethyl)-6-methoxyquinoline

2-azido-3-(2-chloroethyl)-6-methoxyquinoline (PubChem CID 95994765) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-azido-3-(2-chloroethyl)-6-methoxyquinoline.

Molecular Properties

Compound Name2-azido-3-(2-chloroethyl)-6-methoxyquinoline
PubChem CID95994765
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name2-azido-3-(2-chloroethyl)-6-methoxyquinoline
SMILESCOc1ccc2nc(N=[N+]=[N-])c(CCCl)cc2c1
InChIInChI=1S/C12H11ClN4O/c1-18-10-2-3-11-9(7-10)6-8(4-5-13)12(15-11)16-17-14/h2-3,6-7H,4-5H2,1H3
InChIKeyFHOWYTJOQOMWCX-UHFFFAOYSA-N
XLogP3.97
TPSA70.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze 2-azido-3-(2-chloroethyl)-6-methoxyquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-azido-6-methoxyquinolin-3-yl)methyl]-1-ethyl-6,7-dimethoxyisoquinoline
CID 150297354
2-chloro-6-methoxy-3-propylquinoline
CID 63231530
2-azido-1-(chloromethyl)-4-methoxybenzene
CID 142800395
2-chloro-3-(fluoromethyl)-6-methoxyquinoline
CID 163369933
2-(2,6-dimethoxyquinolin-3-yl)ethanamine
CID 170868890
6-methoxy-N,3-dipropylquinolin-2-amine
CID 63523658
2-bromo-1-(2-chloroethyl)-4-methoxybenzene
CID 130534302
(2-chloro-6-methoxyquinolin-3-yl)methyl methanesulfonate
CID 46838693
3-(bromomethyl)-6-methoxy-2-phenylquinoline
CID 67199058
4-azido-7-methoxyquinoline
CID 4233800
1-(2-chloro-6-methoxyquinolin-3-yl)-N-methylmethanimine;hydrate
CID 166706707
1-(azidomethyl)-2,4-dimethoxybenzene
CID 14217595

Frequently Asked Questions

What is the IUPAC name of 2-azido-3-(2-chloroethyl)-6-methoxyquinoline?
The IUPAC name of 2-azido-3-(2-chloroethyl)-6-methoxyquinoline (CID 95994765) is 2-azido-3-(2-chloroethyl)-6-methoxyquinoline.
What is the SMILES notation for 2-azido-3-(2-chloroethyl)-6-methoxyquinoline?
The canonical SMILES for 2-azido-3-(2-chloroethyl)-6-methoxyquinoline is COc1ccc2nc(N=[N+]=[N-])c(CCCl)cc2c1.
What is the InChIKey of 2-azido-3-(2-chloroethyl)-6-methoxyquinoline?
The InChIKey is FHOWYTJOQOMWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-18-10-2-3-11-9(7-10)6-8(4-5-13)12(15-11)16-17-14/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 2-azido-3-(2-chloroethyl)-6-methoxyquinoline?
2-azido-3-(2-chloroethyl)-6-methoxyquinoline has a molecular weight of 262.70 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-3-(2-chloroethyl)-6-methoxyquinoline is sourced from PubChem (CID 95994765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).