ethyl N-[(3-methylquinoxalin-2-yl)methyl]carbamate

C13H15N3O2 — CID 110869683

IUPACethyl N-[(3-methylquinoxalin-2-yl)methyl]carbamate
SMILESCCOC(=O)NCc1nc2ccccc2nc1C
InChIInChI=1S/C13H15N3O2/c1-3-18-13(17)14-8-12-9(2)15-10-6-4-5-7-11(10)16-12/h4-7H,3,8H2,1-2H3,(H,14,17)
InChIKeyCZRUNHKGSFSDLR-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.18
Rot. Bonds3

About ethyl N-[(3-methylquinoxalin-2-yl)methyl]carbamate

ethyl N-[(3-methylquinoxalin-2-yl)methyl]carbamate (PubChem CID 110869683) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl N-[(3-methylquinoxalin-2-yl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3-methylquinoxalin-2-yl)methyl]carbamate
PubChem CID110869683
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Nameethyl N-[(3-methylquinoxalin-2-yl)methyl]carbamate
SMILESCCOC(=O)NCc1nc2ccccc2nc1C
InChIInChI=1S/C13H15N3O2/c1-3-18-13(17)14-8-12-9(2)15-10-6-4-5-7-11(10)16-12/h4-7H,3,8H2,1-2H3,(H,14,17)
InChIKeyCZRUNHKGSFSDLR-UHFFFAOYSA-N
XLogP2.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3-methylquinoxalin-2-yl)methyl]carbamate?
The IUPAC name of ethyl N-[(3-methylquinoxalin-2-yl)methyl]carbamate (CID 110869683) is ethyl N-[(3-methylquinoxalin-2-yl)methyl]carbamate.
What is the SMILES notation for ethyl N-[(3-methylquinoxalin-2-yl)methyl]carbamate?
The canonical SMILES for ethyl N-[(3-methylquinoxalin-2-yl)methyl]carbamate is CCOC(=O)NCc1nc2ccccc2nc1C.
What is the InChIKey of ethyl N-[(3-methylquinoxalin-2-yl)methyl]carbamate?
The InChIKey is CZRUNHKGSFSDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-18-13(17)14-8-12-9(2)15-10-6-4-5-7-11(10)16-12/h4-7H,3,8H2,1-2H3,(H,14,17).
What are the key properties of ethyl N-[(3-methylquinoxalin-2-yl)methyl]carbamate?
ethyl N-[(3-methylquinoxalin-2-yl)methyl]carbamate has a molecular weight of 245.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3-methylquinoxalin-2-yl)methyl]carbamate is sourced from PubChem (CID 110869683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).