4-(2-azido-1-methoxypropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one

C12H12ClN5O2 — CID 166653554

IUPAC4-(2-azido-1-methoxypropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one
SMILESCOCC(C)(N=[N+]=[N-])c1c[nH]c(=O)c2cnc(Cl)cc12
InChIInChI=1S/C12H12ClN5O2/c1-12(6-20-2,17-18-14)9-5-16-11(19)8-4-15-10(13)3-7(8)9/h3-5H,6H2,1-2H3,(H,16,19)
InChIKeyOCVUANHTOJHKIO-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.75
Rot. Bonds4

About 4-(2-azido-1-methoxypropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one

4-(2-azido-1-methoxypropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one (PubChem CID 166653554) has the molecular formula C12H12ClN5O2 and a molecular weight of 293.71 g/mol. Its IUPAC name is 4-(2-azido-1-methoxypropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4-(2-azido-1-methoxypropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one
PubChem CID166653554
Molecular FormulaC12H12ClN5O2
Molecular Weight293.71 g/mol
Exact Mass293.07
IUPAC Name4-(2-azido-1-methoxypropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one
SMILESCOCC(C)(N=[N+]=[N-])c1c[nH]c(=O)c2cnc(Cl)cc12
InChIInChI=1S/C12H12ClN5O2/c1-12(6-20-2,17-18-14)9-5-16-11(19)8-4-15-10(13)3-7(8)9/h3-5H,6H2,1-2H3,(H,16,19)
InChIKeyOCVUANHTOJHKIO-UHFFFAOYSA-N
XLogP2.75
TPSA103.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze 4-(2-azido-1-methoxypropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-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-(2-azido-1-methoxypropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one?
The IUPAC name of 4-(2-azido-1-methoxypropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one (CID 166653554) is 4-(2-azido-1-methoxypropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 4-(2-azido-1-methoxypropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 4-(2-azido-1-methoxypropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one is COCC(C)(N=[N+]=[N-])c1c[nH]c(=O)c2cnc(Cl)cc12.
What is the InChIKey of 4-(2-azido-1-methoxypropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one?
The InChIKey is OCVUANHTOJHKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O2/c1-12(6-20-2,17-18-14)9-5-16-11(19)8-4-15-10(13)3-7(8)9/h3-5H,6H2,1-2H3,(H,16,19).
What are the key properties of 4-(2-azido-1-methoxypropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one?
4-(2-azido-1-methoxypropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one has a molecular weight of 293.71 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azido-1-methoxypropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 166653554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).