4-propan-2-yl-2H-2,6-naphthyridin-1-one

C11H12N2O — CID 159787624

IUPAC4-propan-2-yl-2H-2,6-naphthyridin-1-one
SMILESCC(C)c1c[nH]c(=O)c2ccncc12
InChIInChI=1S/C11H12N2O/c1-7(2)9-6-13-11(14)8-3-4-12-5-10(8)9/h3-7H,1-2H3,(H,13,14)
InChIKeyUHPVNOQTRGSBHT-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.05
Rot. Bonds1

About 4-propan-2-yl-2H-2,6-naphthyridin-1-one

4-propan-2-yl-2H-2,6-naphthyridin-1-one (PubChem CID 159787624) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-propan-2-yl-2H-2,6-naphthyridin-1-one.

Molecular Properties

Compound Name4-propan-2-yl-2H-2,6-naphthyridin-1-one
PubChem CID159787624
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-propan-2-yl-2H-2,6-naphthyridin-1-one
SMILESCC(C)c1c[nH]c(=O)c2ccncc12
InChIInChI=1S/C11H12N2O/c1-7(2)9-6-13-11(14)8-3-4-12-5-10(8)9/h3-7H,1-2H3,(H,13,14)
InChIKeyUHPVNOQTRGSBHT-UHFFFAOYSA-N
XLogP2.05
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-propan-2-yl-2H-2,6-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

Related Compounds

4-bromo-2H-2,6-naphthyridin-1-one
CID 118436923
2-methyl-4-propan-2-yl-2,6-naphthyridin-1-one
CID 147727111
1,4-di(propan-2-yl)-2,6-naphthyridine
CID 130377986
4-(4-hydroxyphenyl)-2H-2,7-naphthyridin-1-one
CID 169241631
4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2H-2,7-naphthyridin-1-one
CID 167300766
8-methyl-4-propan-2-yl-2H-isoquinolin-1-one
CID 115063345
6-propan-2-yl-2H-pyrido[4,3-c][1,6]naphthyridin-1-one
CID 67416123
4-[(3Z)-penta-1,3-dien-2-yl]-2H-2,7-naphthyridin-1-one
CID 155044833
2-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanenitrile
CID 82412113
8-methoxy-4-propan-2-yl-2H-isoquinolin-1-one
CID 115063386
3-oxo-2H-2,7-naphthyridine-4-carboxylic acid
CID 83829417
2-bromo-7-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one
CID 176902477

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2H-2,6-naphthyridin-1-one?
The IUPAC name of 4-propan-2-yl-2H-2,6-naphthyridin-1-one (CID 159787624) is 4-propan-2-yl-2H-2,6-naphthyridin-1-one.
What is the SMILES notation for 4-propan-2-yl-2H-2,6-naphthyridin-1-one?
The canonical SMILES for 4-propan-2-yl-2H-2,6-naphthyridin-1-one is CC(C)c1c[nH]c(=O)c2ccncc12.
What is the InChIKey of 4-propan-2-yl-2H-2,6-naphthyridin-1-one?
The InChIKey is UHPVNOQTRGSBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7(2)9-6-13-11(14)8-3-4-12-5-10(8)9/h3-7H,1-2H3,(H,13,14).
What are the key properties of 4-propan-2-yl-2H-2,6-naphthyridin-1-one?
4-propan-2-yl-2H-2,6-naphthyridin-1-one has a molecular weight of 188.23 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2H-2,6-naphthyridin-1-one is sourced from PubChem (CID 159787624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).