methyl benzo[c]cinnoline-2-carboxylate

C14H10N2O2 — CID 617167

IUPACmethyl benzo[c]cinnoline-2-carboxylate
SMILESCOC(=O)c1ccc2nnc3ccccc3c2c1
InChIInChI=1S/C14H10N2O2/c1-18-14(17)9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-16-13/h2-8H,1H3
InChIKeySESBKIPAZQDVHA-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.57
Rot. Bonds1

About methyl benzo[c]cinnoline-2-carboxylate

methyl benzo[c]cinnoline-2-carboxylate (PubChem CID 617167) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is methyl benzo[c]cinnoline-2-carboxylate.

Molecular Properties

Compound Namemethyl benzo[c]cinnoline-2-carboxylate
PubChem CID617167
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Namemethyl benzo[c]cinnoline-2-carboxylate
SMILESCOC(=O)c1ccc2nnc3ccccc3c2c1
InChIInChI=1S/C14H10N2O2/c1-18-14(17)9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-16-13/h2-8H,1H3
InChIKeySESBKIPAZQDVHA-UHFFFAOYSA-N
XLogP2.57
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl benzo[c]cinnoline-2-carboxylate?
The IUPAC name of methyl benzo[c]cinnoline-2-carboxylate (CID 617167) is methyl benzo[c]cinnoline-2-carboxylate.
What is the SMILES notation for methyl benzo[c]cinnoline-2-carboxylate?
The canonical SMILES for methyl benzo[c]cinnoline-2-carboxylate is COC(=O)c1ccc2nnc3ccccc3c2c1.
What is the InChIKey of methyl benzo[c]cinnoline-2-carboxylate?
The InChIKey is SESBKIPAZQDVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c1-18-14(17)9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-16-13/h2-8H,1H3.
What are the key properties of methyl benzo[c]cinnoline-2-carboxylate?
methyl benzo[c]cinnoline-2-carboxylate has a molecular weight of 238.25 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl benzo[c]cinnoline-2-carboxylate is sourced from PubChem (CID 617167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).