1-benzyl-5-hydroxy-3-methyl-1,7-naphthyridin-2-one

C16H14N2O2 — CID 90073694

IUPAC1-benzyl-5-hydroxy-3-methyl-1,7-naphthyridin-2-one
SMILESCc1cc2c(O)cncc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C16H14N2O2/c1-11-7-13-14(8-17-9-15(13)19)18(16(11)20)10-12-5-3-2-4-6-12/h2-9,19H,10H2,1H3
InChIKeyPQTJXKYCHZZVQP-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.46
Rot. Bonds2

About 1-benzyl-5-hydroxy-3-methyl-1,7-naphthyridin-2-one

1-benzyl-5-hydroxy-3-methyl-1,7-naphthyridin-2-one (PubChem CID 90073694) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-benzyl-5-hydroxy-3-methyl-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name1-benzyl-5-hydroxy-3-methyl-1,7-naphthyridin-2-one
PubChem CID90073694
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1-benzyl-5-hydroxy-3-methyl-1,7-naphthyridin-2-one
SMILESCc1cc2c(O)cncc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C16H14N2O2/c1-11-7-13-14(8-17-9-15(13)19)18(16(11)20)10-12-5-3-2-4-6-12/h2-9,19H,10H2,1H3
InChIKeyPQTJXKYCHZZVQP-UHFFFAOYSA-N
XLogP2.46
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-5-hydroxy-3-methyl-1,7-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 1-benzyl-5-hydroxy-3-methyl-1,7-naphthyridin-2-one?
The IUPAC name of 1-benzyl-5-hydroxy-3-methyl-1,7-naphthyridin-2-one (CID 90073694) is 1-benzyl-5-hydroxy-3-methyl-1,7-naphthyridin-2-one.
What is the SMILES notation for 1-benzyl-5-hydroxy-3-methyl-1,7-naphthyridin-2-one?
The canonical SMILES for 1-benzyl-5-hydroxy-3-methyl-1,7-naphthyridin-2-one is Cc1cc2c(O)cncc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-5-hydroxy-3-methyl-1,7-naphthyridin-2-one?
The InChIKey is PQTJXKYCHZZVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-7-13-14(8-17-9-15(13)19)18(16(11)20)10-12-5-3-2-4-6-12/h2-9,19H,10H2,1H3.
What are the key properties of 1-benzyl-5-hydroxy-3-methyl-1,7-naphthyridin-2-one?
1-benzyl-5-hydroxy-3-methyl-1,7-naphthyridin-2-one has a molecular weight of 266.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-hydroxy-3-methyl-1,7-naphthyridin-2-one is sourced from PubChem (CID 90073694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).