methyl 2-(3-methylimidazol-4-yl)-1,5-naphthyridine-4-carboxylate

C14H12N4O2 — CID 20753067

IUPACmethyl 2-(3-methylimidazol-4-yl)-1,5-naphthyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2cncn2C)nc2cccnc12
InChIInChI=1S/C14H12N4O2/c1-18-8-15-7-12(18)11-6-9(14(19)20-2)13-10(17-11)4-3-5-16-13/h3-8H,1-2H3
InChIKeyUZRRXHMRZKRTDW-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.82
Rot. Bonds2

About methyl 2-(3-methylimidazol-4-yl)-1,5-naphthyridine-4-carboxylate

methyl 2-(3-methylimidazol-4-yl)-1,5-naphthyridine-4-carboxylate (PubChem CID 20753067) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is methyl 2-(3-methylimidazol-4-yl)-1,5-naphthyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-methylimidazol-4-yl)-1,5-naphthyridine-4-carboxylate
PubChem CID20753067
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Namemethyl 2-(3-methylimidazol-4-yl)-1,5-naphthyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2cncn2C)nc2cccnc12
InChIInChI=1S/C14H12N4O2/c1-18-8-15-7-12(18)11-6-9(14(19)20-2)13-10(17-11)4-3-5-16-13/h3-8H,1-2H3
InChIKeyUZRRXHMRZKRTDW-UHFFFAOYSA-N
XLogP1.82
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(3-methylimidazol-4-yl)-1,5-naphthyridine-4-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-(3-methylimidazol-4-yl)-1,5-naphthyridine-4-carboxylate?
The IUPAC name of methyl 2-(3-methylimidazol-4-yl)-1,5-naphthyridine-4-carboxylate (CID 20753067) is methyl 2-(3-methylimidazol-4-yl)-1,5-naphthyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(3-methylimidazol-4-yl)-1,5-naphthyridine-4-carboxylate?
The canonical SMILES for methyl 2-(3-methylimidazol-4-yl)-1,5-naphthyridine-4-carboxylate is COC(=O)c1cc(-c2cncn2C)nc2cccnc12.
What is the InChIKey of methyl 2-(3-methylimidazol-4-yl)-1,5-naphthyridine-4-carboxylate?
The InChIKey is UZRRXHMRZKRTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-18-8-15-7-12(18)11-6-9(14(19)20-2)13-10(17-11)4-3-5-16-13/h3-8H,1-2H3.
What are the key properties of methyl 2-(3-methylimidazol-4-yl)-1,5-naphthyridine-4-carboxylate?
methyl 2-(3-methylimidazol-4-yl)-1,5-naphthyridine-4-carboxylate has a molecular weight of 268.28 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methylimidazol-4-yl)-1,5-naphthyridine-4-carboxylate is sourced from PubChem (CID 20753067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).