3-(azidomethyl)-2-chloro-6-methylquinoline

C11H9ClN4 — CID 46838836

IUPAC3-(azidomethyl)-2-chloro-6-methylquinoline
SMILESCc1ccc2nc(Cl)c(CN=[N+]=[N-])cc2c1
InChIInChI=1S/C11H9ClN4/c1-7-2-3-10-8(4-7)5-9(6-14-16-13)11(12)15-10/h2-5H,6H2,1H3
InChIKeyHWPJMWCXDVSQNQ-UHFFFAOYSA-N
MW232.67 g/mol
LogP4.01
Rot. Bonds2

About 3-(azidomethyl)-2-chloro-6-methylquinoline

3-(azidomethyl)-2-chloro-6-methylquinoline (PubChem CID 46838836) has the molecular formula C11H9ClN4 and a molecular weight of 232.67 g/mol. Its IUPAC name is 3-(azidomethyl)-2-chloro-6-methylquinoline.

Molecular Properties

Compound Name3-(azidomethyl)-2-chloro-6-methylquinoline
PubChem CID46838836
Molecular FormulaC11H9ClN4
Molecular Weight232.67 g/mol
Exact Mass232.05
IUPAC Name3-(azidomethyl)-2-chloro-6-methylquinoline
SMILESCc1ccc2nc(Cl)c(CN=[N+]=[N-])cc2c1
InChIInChI=1S/C11H9ClN4/c1-7-2-3-10-8(4-7)5-9(6-14-16-13)11(12)15-10/h2-5H,6H2,1H3
InChIKeyHWPJMWCXDVSQNQ-UHFFFAOYSA-N
XLogP4.01
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', '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

3-(azidomethyl)-2-chloro-8-ethylquinoline
CID 46838842
2-chloro-6-methylquinolin-3-ol
CID 117246619
2,7-dimethylacridine
CID 14490101
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylacetamide
CID 856829
2-chloro-3-ethynyl-6-methylquinoline
CID 139193313
6-(azidomethyl)-2-methylquinoline
CID 58081368
N-benzyl-N-[(2-chloro-6-methylquinolin-3-yl)methyl]propanamide
CID 1459799
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylcyclopropanecarboxamide
CID 856830
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1459808
2,9-dimethylquinolino[2,3-b]acridine
CID 122407796
(2-chloro-7-methylquinolin-3-yl)methyl N'-aminocarbamimidothioate
CID 77060694
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentyl-2-methoxyacetamide
CID 856832

Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-2-chloro-6-methylquinoline?
The IUPAC name of 3-(azidomethyl)-2-chloro-6-methylquinoline (CID 46838836) is 3-(azidomethyl)-2-chloro-6-methylquinoline.
What is the SMILES notation for 3-(azidomethyl)-2-chloro-6-methylquinoline?
The canonical SMILES for 3-(azidomethyl)-2-chloro-6-methylquinoline is Cc1ccc2nc(Cl)c(CN=[N+]=[N-])cc2c1.
What is the InChIKey of 3-(azidomethyl)-2-chloro-6-methylquinoline?
The InChIKey is HWPJMWCXDVSQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4/c1-7-2-3-10-8(4-7)5-9(6-14-16-13)11(12)15-10/h2-5H,6H2,1H3.
What are the key properties of 3-(azidomethyl)-2-chloro-6-methylquinoline?
3-(azidomethyl)-2-chloro-6-methylquinoline has a molecular weight of 232.67 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-2-chloro-6-methylquinoline is sourced from PubChem (CID 46838836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).