3-(3-methoxy-8-oxo-5H-1,5-naphthyridin-2-yl)pentane-2,4-dione

C14H14N2O4 — CID 167564681

IUPAC3-(3-methoxy-8-oxo-5H-1,5-naphthyridin-2-yl)pentane-2,4-dione
SMILESCOc1cc2[nH]ccc(=O)c2nc1C(C(C)=O)C(C)=O
InChIInChI=1S/C14H14N2O4/c1-7(17)12(8(2)18)14-11(20-3)6-9-13(16-14)10(19)4-5-15-9/h4-6,12H,1-3H3,(H,15,19)
InChIKeyZOKZOWPLWODIIZ-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.19
Rot. Bonds4

About 3-(3-methoxy-8-oxo-5H-1,5-naphthyridin-2-yl)pentane-2,4-dione

3-(3-methoxy-8-oxo-5H-1,5-naphthyridin-2-yl)pentane-2,4-dione (PubChem CID 167564681) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-(3-methoxy-8-oxo-5H-1,5-naphthyridin-2-yl)pentane-2,4-dione.

Molecular Properties

Compound Name3-(3-methoxy-8-oxo-5H-1,5-naphthyridin-2-yl)pentane-2,4-dione
PubChem CID167564681
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-(3-methoxy-8-oxo-5H-1,5-naphthyridin-2-yl)pentane-2,4-dione
SMILESCOc1cc2[nH]ccc(=O)c2nc1C(C(C)=O)C(C)=O
InChIInChI=1S/C14H14N2O4/c1-7(17)12(8(2)18)14-11(20-3)6-9-13(16-14)10(19)4-5-15-9/h4-6,12H,1-3H3,(H,15,19)
InChIKeyZOKZOWPLWODIIZ-UHFFFAOYSA-N
XLogP1.19
TPSA89.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(3-methoxy-8-oxo-5H-1,5-naphthyridin-2-yl)pentane-2,4-dione 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

methyl 1-[(3-methoxy-8-oxo-5H-1,5-naphthyridin-2-yl)oxy]cyclopropane-1-carboxylate
CID 168842836
8-oxo-5H-1,5-naphthyridine-2-carboxylic acid
CID 132537351
3-hydroxy-2-methoxy-1H-pyridin-4-one
CID 45079798
methyl 1-[(6-methoxy-4-oxo-1H-quinolin-7-yl)oxymethyl]cyclopropane-1-carboxylate
CID 67265186
5-methoxy-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinolin-10-one
CID 139391203
3-(2,5-dimethoxyphenyl)pentane-2,4-dione
CID 98661157
benzyl N-(7-methoxy-4-oxo-1H-quinolin-6-yl)carbamate
CID 58931364
(5-methoxy-1H-indol-6-yl)boronic acid
CID 68543723
5-(3-methoxyphenoxy)-1H-quinolin-4-one
CID 91548000
6-(1-methylpyrazol-4-yl)-1H-1,5-naphthyridin-4-one
CID 139349136
7-methoxy-1H-indole-5-carboxylic acid
CID 15247554
(1S)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanol
CID 66264286

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-8-oxo-5H-1,5-naphthyridin-2-yl)pentane-2,4-dione?
The IUPAC name of 3-(3-methoxy-8-oxo-5H-1,5-naphthyridin-2-yl)pentane-2,4-dione (CID 167564681) is 3-(3-methoxy-8-oxo-5H-1,5-naphthyridin-2-yl)pentane-2,4-dione.
What is the SMILES notation for 3-(3-methoxy-8-oxo-5H-1,5-naphthyridin-2-yl)pentane-2,4-dione?
The canonical SMILES for 3-(3-methoxy-8-oxo-5H-1,5-naphthyridin-2-yl)pentane-2,4-dione is COc1cc2[nH]ccc(=O)c2nc1C(C(C)=O)C(C)=O.
What is the InChIKey of 3-(3-methoxy-8-oxo-5H-1,5-naphthyridin-2-yl)pentane-2,4-dione?
The InChIKey is ZOKZOWPLWODIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-7(17)12(8(2)18)14-11(20-3)6-9-13(16-14)10(19)4-5-15-9/h4-6,12H,1-3H3,(H,15,19).
What are the key properties of 3-(3-methoxy-8-oxo-5H-1,5-naphthyridin-2-yl)pentane-2,4-dione?
3-(3-methoxy-8-oxo-5H-1,5-naphthyridin-2-yl)pentane-2,4-dione has a molecular weight of 274.28 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-8-oxo-5H-1,5-naphthyridin-2-yl)pentane-2,4-dione is sourced from PubChem (CID 167564681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).