methyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate

C10H12N2O3 — CID 52987735

IUPACmethyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c([nH]c1=O)CCNC2
InChIInChI=1S/C10H12N2O3/c1-15-10(14)7-4-6-5-11-3-2-8(6)12-9(7)13/h4,11H,2-3,5H2,1H3,(H,12,13)
InChIKeyYTVZYKZWTPUAMR-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.19
Rot. Bonds1

About methyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate

methyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate (PubChem CID 52987735) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is methyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate
PubChem CID52987735
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Namemethyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c([nH]c1=O)CCNC2
InChIInChI=1S/C10H12N2O3/c1-15-10(14)7-4-6-5-11-3-2-8(6)12-9(7)13/h4,11H,2-3,5H2,1H3,(H,12,13)
InChIKeyYTVZYKZWTPUAMR-UHFFFAOYSA-N
XLogP-0.19
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate?
The IUPAC name of methyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate (CID 52987735) is methyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate is COC(=O)c1cc2c([nH]c1=O)CCNC2.
What is the InChIKey of methyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate?
The InChIKey is YTVZYKZWTPUAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-15-10(14)7-4-6-5-11-3-2-8(6)12-9(7)13/h4,11H,2-3,5H2,1H3,(H,12,13).
What are the key properties of methyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate?
methyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate has a molecular weight of 208.22 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 52987735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).