2-methyl-4aH-1,5-naphthyridin-4-one

C9H8N2O — CID 85437761

IUPAC2-methyl-4aH-1,5-naphthyridin-4-one
SMILESCC1=CC(=O)C2N=CC=CC2=N1
InChIInChI=1S/C9H8N2O/c1-6-5-8(12)9-7(11-6)3-2-4-10-9/h2-5,9H,1H3
InChIKeyGMKQIEDKALZBGO-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.92
Rot. Bonds

About 2-methyl-4aH-1,5-naphthyridin-4-one

2-methyl-4aH-1,5-naphthyridin-4-one (PubChem CID 85437761) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-methyl-4aH-1,5-naphthyridin-4-one.

Molecular Properties

Compound Name2-methyl-4aH-1,5-naphthyridin-4-one
PubChem CID85437761
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name2-methyl-4aH-1,5-naphthyridin-4-one
SMILESCC1=CC(=O)C2N=CC=CC2=N1
InChIInChI=1S/C9H8N2O/c1-6-5-8(12)9-7(11-6)3-2-4-10-9/h2-5,9H,1H3
InChIKeyGMKQIEDKALZBGO-UHFFFAOYSA-N
XLogP0.92
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4aH-1,5-naphthyridin-4-one?
The IUPAC name of 2-methyl-4aH-1,5-naphthyridin-4-one (CID 85437761) is 2-methyl-4aH-1,5-naphthyridin-4-one.
What is the SMILES notation for 2-methyl-4aH-1,5-naphthyridin-4-one?
The canonical SMILES for 2-methyl-4aH-1,5-naphthyridin-4-one is CC1=CC(=O)C2N=CC=CC2=N1.
What is the InChIKey of 2-methyl-4aH-1,5-naphthyridin-4-one?
The InChIKey is GMKQIEDKALZBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-6-5-8(12)9-7(11-6)3-2-4-10-9/h2-5,9H,1H3.
What are the key properties of 2-methyl-4aH-1,5-naphthyridin-4-one?
2-methyl-4aH-1,5-naphthyridin-4-one has a molecular weight of 160.18 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4aH-1,5-naphthyridin-4-one is sourced from PubChem (CID 85437761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).