7-acetyl-3-ethyl-1H-1,5-naphthyridin-2-one

C12H12N2O2 — CID 166021931

IUPAC7-acetyl-3-ethyl-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(C(C)=O)cc2[nH]c1=O
InChIInChI=1S/C12H12N2O2/c1-3-8-4-10-11(14-12(8)16)5-9(6-13-10)7(2)15/h4-6H,3H2,1-2H3,(H,14,16)
InChIKeyXIAFOSVKNMIUAW-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.69
Rot. Bonds2

About 7-acetyl-3-ethyl-1H-1,5-naphthyridin-2-one

7-acetyl-3-ethyl-1H-1,5-naphthyridin-2-one (PubChem CID 166021931) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 7-acetyl-3-ethyl-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-acetyl-3-ethyl-1H-1,5-naphthyridin-2-one
PubChem CID166021931
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name7-acetyl-3-ethyl-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(C(C)=O)cc2[nH]c1=O
InChIInChI=1S/C12H12N2O2/c1-3-8-4-10-11(14-12(8)16)5-9(6-13-10)7(2)15/h4-6H,3H2,1-2H3,(H,14,16)
InChIKeyXIAFOSVKNMIUAW-UHFFFAOYSA-N
XLogP1.69
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-acetyl-3-ethyl-1H-1,5-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

Related Compounds

3-cyclopropyl-7-propanoyl-1H-1,5-naphthyridin-2-one
CID 171509912
cesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one
CID 177022352
3-ethyl-7-[[4-(2-methylpropanethioyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 177022419
7-[[4-(cyclopropanecarbothioyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
CID 177022356
6-[1-[[6-oxo-7-(2,2,2-trideuterioethyl)-5H-1,5-naphthyridin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide
CID 178182098
6-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-N-methylpyridine-3-carboxamide
CID 170311157
3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid
CID 59474824
3-ethyl-7-[[4-[6-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 168889942
2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide
CID 166021942
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
3-ethyl-8-methyl-7-propan-2-yl-1H-1,5-naphthyridin-2-one
CID 170059863
3-ethyl-7-[[4-[6-(2-methylpropanoyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;molecular hydrogen
CID 176581391

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-3-ethyl-1H-1,5-naphthyridin-2-one?
The IUPAC name of 7-acetyl-3-ethyl-1H-1,5-naphthyridin-2-one (CID 166021931) is 7-acetyl-3-ethyl-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-acetyl-3-ethyl-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 7-acetyl-3-ethyl-1H-1,5-naphthyridin-2-one is CCc1cc2ncc(C(C)=O)cc2[nH]c1=O.
What is the InChIKey of 7-acetyl-3-ethyl-1H-1,5-naphthyridin-2-one?
The InChIKey is XIAFOSVKNMIUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-3-8-4-10-11(14-12(8)16)5-9(6-13-10)7(2)15/h4-6H,3H2,1-2H3,(H,14,16).
What are the key properties of 7-acetyl-3-ethyl-1H-1,5-naphthyridin-2-one?
7-acetyl-3-ethyl-1H-1,5-naphthyridin-2-one has a molecular weight of 216.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-3-ethyl-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 166021931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).