4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one

C17H14N2O2 — CID 54686095

IUPAC4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one
SMILESC=CCc1c(O)c2cccnc2n(-c2ccccc2)c1=O
InChIInChI=1S/C17H14N2O2/c1-2-7-14-15(20)13-10-6-11-18-16(13)19(17(14)21)12-8-4-3-5-9-12/h2-6,8-11,20H,1,7H2
InChIKeyDHSUHPJUEBYIIS-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.82
Rot. Bonds3

About 4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one

4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one (PubChem CID 54686095) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one
PubChem CID54686095
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one
SMILESC=CCc1c(O)c2cccnc2n(-c2ccccc2)c1=O
InChIInChI=1S/C17H14N2O2/c1-2-7-14-15(20)13-10-6-11-18-16(13)19(17(14)21)12-8-4-3-5-9-12/h2-6,8-11,20H,1,7H2
InChIKeyDHSUHPJUEBYIIS-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-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-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one?
The IUPAC name of 4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one (CID 54686095) is 4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one?
The canonical SMILES for 4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one is C=CCc1c(O)c2cccnc2n(-c2ccccc2)c1=O.
What is the InChIKey of 4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one?
The InChIKey is DHSUHPJUEBYIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-2-7-14-15(20)13-10-6-11-18-16(13)19(17(14)21)12-8-4-3-5-9-12/h2-6,8-11,20H,1,7H2.
What are the key properties of 4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one?
4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one has a molecular weight of 278.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 54686095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).