4-(azidomethyl)-7-chloro-1H-quinolin-2-one

C10H7ClN4O — CID 140975898

IUPAC4-(azidomethyl)-7-chloro-1H-quinolin-2-one
SMILES[N-]=[N+]=NCc1cc(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C10H7ClN4O/c11-7-1-2-8-6(5-13-15-12)3-10(16)14-9(8)4-7/h1-4H,5H2,(H,14,16)
InChIKeyCRZIVQPOLNESMR-UHFFFAOYSA-N
MW234.65 g/mol
LogP2.99
Rot. Bonds2

About 4-(azidomethyl)-7-chloro-1H-quinolin-2-one

4-(azidomethyl)-7-chloro-1H-quinolin-2-one (PubChem CID 140975898) has the molecular formula C10H7ClN4O and a molecular weight of 234.65 g/mol. Its IUPAC name is 4-(azidomethyl)-7-chloro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-7-chloro-1H-quinolin-2-one
PubChem CID140975898
Molecular FormulaC10H7ClN4O
Molecular Weight234.65 g/mol
Exact Mass234.03
IUPAC Name4-(azidomethyl)-7-chloro-1H-quinolin-2-one
SMILES[N-]=[N+]=NCc1cc(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C10H7ClN4O/c11-7-1-2-8-6(5-13-15-12)3-10(16)14-9(8)4-7/h1-4H,5H2,(H,14,16)
InChIKeyCRZIVQPOLNESMR-UHFFFAOYSA-N
XLogP2.99
TPSA81.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.65
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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 4-(azidomethyl)-7-chloro-1H-quinolin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-7-chloro-1H-quinolin-2-one?
The IUPAC name of 4-(azidomethyl)-7-chloro-1H-quinolin-2-one (CID 140975898) is 4-(azidomethyl)-7-chloro-1H-quinolin-2-one.
What is the SMILES notation for 4-(azidomethyl)-7-chloro-1H-quinolin-2-one?
The canonical SMILES for 4-(azidomethyl)-7-chloro-1H-quinolin-2-one is [N-]=[N+]=NCc1cc(=O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 4-(azidomethyl)-7-chloro-1H-quinolin-2-one?
The InChIKey is CRZIVQPOLNESMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O/c11-7-1-2-8-6(5-13-15-12)3-10(16)14-9(8)4-7/h1-4H,5H2,(H,14,16).
What are the key properties of 4-(azidomethyl)-7-chloro-1H-quinolin-2-one?
4-(azidomethyl)-7-chloro-1H-quinolin-2-one has a molecular weight of 234.65 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-7-chloro-1H-quinolin-2-one is sourced from PubChem (CID 140975898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).