methyl 2-(3-methyl-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetate

C12H14N2O3 — CID 71021477

IUPACmethyl 2-(3-methyl-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetate
SMILESCOC(=O)CN1C(=O)C(C)Cc2ncccc21
InChIInChI=1S/C12H14N2O3/c1-8-6-9-10(4-3-5-13-9)14(12(8)16)7-11(15)17-2/h3-5,8H,6-7H2,1-2H3
InChIKeyFAKIVUGIAMLOLG-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.78
Rot. Bonds2

About methyl 2-(3-methyl-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetate

methyl 2-(3-methyl-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetate (PubChem CID 71021477) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl 2-(3-methyl-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-methyl-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetate
PubChem CID71021477
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namemethyl 2-(3-methyl-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetate
SMILESCOC(=O)CN1C(=O)C(C)Cc2ncccc21
InChIInChI=1S/C12H14N2O3/c1-8-6-9-10(4-3-5-13-9)14(12(8)16)7-11(15)17-2/h3-5,8H,6-7H2,1-2H3
InChIKeyFAKIVUGIAMLOLG-UHFFFAOYSA-N
XLogP0.78
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(3-methyl-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetate 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-(3-methyl-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetate?
The IUPAC name of methyl 2-(3-methyl-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetate (CID 71021477) is methyl 2-(3-methyl-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-methyl-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetate?
The canonical SMILES for methyl 2-(3-methyl-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetate is COC(=O)CN1C(=O)C(C)Cc2ncccc21.
What is the InChIKey of methyl 2-(3-methyl-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetate?
The InChIKey is FAKIVUGIAMLOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8-6-9-10(4-3-5-13-9)14(12(8)16)7-11(15)17-2/h3-5,8H,6-7H2,1-2H3.
What are the key properties of methyl 2-(3-methyl-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetate?
methyl 2-(3-methyl-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetate has a molecular weight of 234.25 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methyl-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetate is sourced from PubChem (CID 71021477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).