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

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Related Compounds

ethane;methyl 7-methyl-2-(3-methylimidazol-4-yl)quinoline-4-carboxylate
CID 142143445
methyl 6-(methoxymethyl)-2-(3-methylimidazol-4-yl)-7-(trifluoromethyl)quinoline-4-carboxylate
CID 71192102
methyl 4-(3-methylimidazol-4-yl)-1,3-thiazole-2-carboxylate
CID 172595710
methyl 1,3-dimethyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247922
methyl 6-(1-pyrimidin-5-ylethenyl)quinoline-8-carboxylate
CID 118378703
methyl 6-(1H-benzimidazol-2-yl)quinoline-8-carboxylate
CID 141307850
methyl 1,10-phenanthroline-4-carboxylate
CID 20679670
methyl 2-pyridin-3-ylquinazoline-8-carboxylate
CID 58154662
methyl 3,5-diphenylimidazo[4,5-b]pyridine-7-carboxylate
CID 134833852
2-methoxy-N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138590337
methyl 8-fluoroquinoline-7-carboxylate
CID 169130767
methyl 3-fluoro-2-pyridin-3-ylpyridine-4-carboxylate
CID 46317589

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).