4-hydroxy-7-methyl-4aH-1,8-naphthyridin-2-one

C9H8N2O2 — CID 75645593

IUPAC4-hydroxy-7-methyl-4aH-1,8-naphthyridin-2-one
SMILESCC1=NC2=NC(=O)C=C(O)C2C=C1
InChIInChI=1S/C9H8N2O2/c1-5-2-3-6-7(12)4-8(13)11-9(6)10-5/h2-4,6,12H,1H3
InChIKeyYFAZFCCBJGMCBV-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.01
Rot. Bonds

About 4-hydroxy-7-methyl-4aH-1,8-naphthyridin-2-one

4-hydroxy-7-methyl-4aH-1,8-naphthyridin-2-one (PubChem CID 75645593) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 4-hydroxy-7-methyl-4aH-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-7-methyl-4aH-1,8-naphthyridin-2-one
PubChem CID75645593
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name4-hydroxy-7-methyl-4aH-1,8-naphthyridin-2-one
SMILESCC1=NC2=NC(=O)C=C(O)C2C=C1
InChIInChI=1S/C9H8N2O2/c1-5-2-3-6-7(12)4-8(13)11-9(6)10-5/h2-4,6,12H,1H3
InChIKeyYFAZFCCBJGMCBV-UHFFFAOYSA-N
XLogP1.01
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4aH-cyclohepta[b]pyridin-9-ol
CID 143770507
3-ethyl-6-methyl-3H-pyridin-2-one
CID 76844676
2,3-dimethyl-8aH-pyrido[2,3-b]pyrazin-6-one
CID 75089622
5-methylbicyclo[2.1.0]penta-1(5),2-diene
CID 86017292
4-bromo-4aH-quinolin-2-one
CID 71303285
7-hydroxy-2,3-dimethyl-3aH-benzimidazol-4-one
CID 73011384
methyl 3-ethyl-2,4-dioxo-4aH-quinazoline-7-carboxylate
CID 78204917
4-hydroxy-6-methyl-4a,8a-dihydro-1H-quinolin-2-one
CID 143863556
4-hydroxy-6-methyl-4a,8a-dihydrochromen-2-one
CID 134291801
7-bromo-2,5-dimethyl-4aH-1,5-naphthyridine
CID 144666416
2,4-dioxo-3-propan-2-yl-4aH-quinazoline-7-carboxylic acid
CID 74662553
5-(difluoromethylidene)-6-methylpyridin-2-one
CID 156595535

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-methyl-4aH-1,8-naphthyridin-2-one?
The IUPAC name of 4-hydroxy-7-methyl-4aH-1,8-naphthyridin-2-one (CID 75645593) is 4-hydroxy-7-methyl-4aH-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-hydroxy-7-methyl-4aH-1,8-naphthyridin-2-one?
The canonical SMILES for 4-hydroxy-7-methyl-4aH-1,8-naphthyridin-2-one is CC1=NC2=NC(=O)C=C(O)C2C=C1.
What is the InChIKey of 4-hydroxy-7-methyl-4aH-1,8-naphthyridin-2-one?
The InChIKey is YFAZFCCBJGMCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-5-2-3-6-7(12)4-8(13)11-9(6)10-5/h2-4,6,12H,1H3.
What are the key properties of 4-hydroxy-7-methyl-4aH-1,8-naphthyridin-2-one?
4-hydroxy-7-methyl-4aH-1,8-naphthyridin-2-one has a molecular weight of 176.17 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-methyl-4aH-1,8-naphthyridin-2-one is sourced from PubChem (CID 75645593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).