methyl 2-methylbenzo[g]quinoxaline-3-carboxylate

C15H12N2O2 — CID 15545499

IUPACmethyl 2-methylbenzo[g]quinoxaline-3-carboxylate
SMILESCOC(=O)c1nc2cc3ccccc3cc2nc1C
InChIInChI=1S/C15H12N2O2/c1-9-14(15(18)19-2)17-13-8-11-6-4-3-5-10(11)7-12(13)16-9/h3-8H,1-2H3
InChIKeyPPCUTLWOYLGEAQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.88
Rot. Bonds1

About methyl 2-methylbenzo[g]quinoxaline-3-carboxylate

methyl 2-methylbenzo[g]quinoxaline-3-carboxylate (PubChem CID 15545499) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 2-methylbenzo[g]quinoxaline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methylbenzo[g]quinoxaline-3-carboxylate
PubChem CID15545499
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Namemethyl 2-methylbenzo[g]quinoxaline-3-carboxylate
SMILESCOC(=O)c1nc2cc3ccccc3cc2nc1C
InChIInChI=1S/C15H12N2O2/c1-9-14(15(18)19-2)17-13-8-11-6-4-3-5-10(11)7-12(13)16-9/h3-8H,1-2H3
InChIKeyPPCUTLWOYLGEAQ-UHFFFAOYSA-N
XLogP2.88
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methylbenzo[g]quinoxaline-3-carboxylate?
The IUPAC name of methyl 2-methylbenzo[g]quinoxaline-3-carboxylate (CID 15545499) is methyl 2-methylbenzo[g]quinoxaline-3-carboxylate.
What is the SMILES notation for methyl 2-methylbenzo[g]quinoxaline-3-carboxylate?
The canonical SMILES for methyl 2-methylbenzo[g]quinoxaline-3-carboxylate is COC(=O)c1nc2cc3ccccc3cc2nc1C.
What is the InChIKey of methyl 2-methylbenzo[g]quinoxaline-3-carboxylate?
The InChIKey is PPCUTLWOYLGEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-9-14(15(18)19-2)17-13-8-11-6-4-3-5-10(11)7-12(13)16-9/h3-8H,1-2H3.
What are the key properties of methyl 2-methylbenzo[g]quinoxaline-3-carboxylate?
methyl 2-methylbenzo[g]quinoxaline-3-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylbenzo[g]quinoxaline-3-carboxylate is sourced from PubChem (CID 15545499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).