methyl cinnoline-3-carboxylate

C10H8N2O2 — CID 116988000

IUPACmethyl cinnoline-3-carboxylate
SMILESCOC(=O)c1cc2ccccc2nn1
InChIInChI=1S/C10H8N2O2/c1-14-10(13)9-6-7-4-2-3-5-8(7)11-12-9/h2-6H,1H3
InChIKeyKRMKSWSPZYMNJT-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.42
Rot. Bonds1

About methyl cinnoline-3-carboxylate

methyl cinnoline-3-carboxylate (PubChem CID 116988000) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is methyl cinnoline-3-carboxylate.

Molecular Properties

Compound Namemethyl cinnoline-3-carboxylate
PubChem CID116988000
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Namemethyl cinnoline-3-carboxylate
SMILESCOC(=O)c1cc2ccccc2nn1
InChIInChI=1S/C10H8N2O2/c1-14-10(13)9-6-7-4-2-3-5-8(7)11-12-9/h2-6H,1H3
InChIKeyKRMKSWSPZYMNJT-UHFFFAOYSA-N
XLogP1.42
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl cinnoline-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 cinnoline-3-carboxylate?
The IUPAC name of methyl cinnoline-3-carboxylate (CID 116988000) is methyl cinnoline-3-carboxylate.
What is the SMILES notation for methyl cinnoline-3-carboxylate?
The canonical SMILES for methyl cinnoline-3-carboxylate is COC(=O)c1cc2ccccc2nn1.
What is the InChIKey of methyl cinnoline-3-carboxylate?
The InChIKey is KRMKSWSPZYMNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-14-10(13)9-6-7-4-2-3-5-8(7)11-12-9/h2-6H,1H3.
What are the key properties of methyl cinnoline-3-carboxylate?
methyl cinnoline-3-carboxylate has a molecular weight of 188.19 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl cinnoline-3-carboxylate is sourced from PubChem (CID 116988000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).