3-tert-butyl-8-hydroxy-1,8-naphthyridin-2-one

C12H14N2O2 — CID 68996499

IUPAC3-tert-butyl-8-hydroxy-1,8-naphthyridin-2-one
SMILESCC(C)(C)c1cc2cccn(O)c-2nc1=O
InChIInChI=1S/C12H14N2O2/c1-12(2,3)9-7-8-5-4-6-14(16)10(8)13-11(9)15/h4-7,16H,1-3H3
InChIKeyIFWLBCADIFOIGP-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.88
Rot. Bonds

About 3-tert-butyl-8-hydroxy-1,8-naphthyridin-2-one

3-tert-butyl-8-hydroxy-1,8-naphthyridin-2-one (PubChem CID 68996499) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-tert-butyl-8-hydroxy-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-tert-butyl-8-hydroxy-1,8-naphthyridin-2-one
PubChem CID68996499
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-tert-butyl-8-hydroxy-1,8-naphthyridin-2-one
SMILESCC(C)(C)c1cc2cccn(O)c-2nc1=O
InChIInChI=1S/C12H14N2O2/c1-12(2,3)9-7-8-5-4-6-14(16)10(8)13-11(9)15/h4-7,16H,1-3H3
InChIKeyIFWLBCADIFOIGP-UHFFFAOYSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-tert-butyl-8-hydroxy-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 3-tert-butyl-8-hydroxy-1,8-naphthyridin-2-one?
The IUPAC name of 3-tert-butyl-8-hydroxy-1,8-naphthyridin-2-one (CID 68996499) is 3-tert-butyl-8-hydroxy-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-tert-butyl-8-hydroxy-1,8-naphthyridin-2-one?
The canonical SMILES for 3-tert-butyl-8-hydroxy-1,8-naphthyridin-2-one is CC(C)(C)c1cc2cccn(O)c-2nc1=O.
What is the InChIKey of 3-tert-butyl-8-hydroxy-1,8-naphthyridin-2-one?
The InChIKey is IFWLBCADIFOIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-12(2,3)9-7-8-5-4-6-14(16)10(8)13-11(9)15/h4-7,16H,1-3H3.
What are the key properties of 3-tert-butyl-8-hydroxy-1,8-naphthyridin-2-one?
3-tert-butyl-8-hydroxy-1,8-naphthyridin-2-one has a molecular weight of 218.26 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-hydroxy-1,8-naphthyridin-2-one is sourced from PubChem (CID 68996499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).