(3-methylquinoxalin-2-yl)methyl furan-2-carboxylate

C15H12N2O3 — CID 18079227

IUPAC(3-methylquinoxalin-2-yl)methyl furan-2-carboxylate
SMILESCc1nc2ccccc2nc1COC(=O)c1ccco1
InChIInChI=1S/C15H12N2O3/c1-10-13(9-20-15(18)14-7-4-8-19-14)17-12-6-3-2-5-11(12)16-10/h2-8H,9H2,1H3
InChIKeyAJHMKUAPBQIGSO-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.89
Rot. Bonds3

About (3-methylquinoxalin-2-yl)methyl furan-2-carboxylate

(3-methylquinoxalin-2-yl)methyl furan-2-carboxylate (PubChem CID 18079227) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is (3-methylquinoxalin-2-yl)methyl furan-2-carboxylate.

Molecular Properties

Compound Name(3-methylquinoxalin-2-yl)methyl furan-2-carboxylate
PubChem CID18079227
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name(3-methylquinoxalin-2-yl)methyl furan-2-carboxylate
SMILESCc1nc2ccccc2nc1COC(=O)c1ccco1
InChIInChI=1S/C15H12N2O3/c1-10-13(9-20-15(18)14-7-4-8-19-14)17-12-6-3-2-5-11(12)16-10/h2-8H,9H2,1H3
InChIKeyAJHMKUAPBQIGSO-UHFFFAOYSA-N
XLogP2.89
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methylquinoxalin-2-yl)methyl furan-2-carboxylate?
The IUPAC name of (3-methylquinoxalin-2-yl)methyl furan-2-carboxylate (CID 18079227) is (3-methylquinoxalin-2-yl)methyl furan-2-carboxylate.
What is the SMILES notation for (3-methylquinoxalin-2-yl)methyl furan-2-carboxylate?
The canonical SMILES for (3-methylquinoxalin-2-yl)methyl furan-2-carboxylate is Cc1nc2ccccc2nc1COC(=O)c1ccco1.
What is the InChIKey of (3-methylquinoxalin-2-yl)methyl furan-2-carboxylate?
The InChIKey is AJHMKUAPBQIGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-10-13(9-20-15(18)14-7-4-8-19-14)17-12-6-3-2-5-11(12)16-10/h2-8H,9H2,1H3.
What are the key properties of (3-methylquinoxalin-2-yl)methyl furan-2-carboxylate?
(3-methylquinoxalin-2-yl)methyl furan-2-carboxylate has a molecular weight of 268.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylquinoxalin-2-yl)methyl furan-2-carboxylate is sourced from PubChem (CID 18079227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).