ethyl N-(quinoxalin-2-ylmethyl)carbamate

C12H13N3O2 — CID 110869614

IUPACethyl N-(quinoxalin-2-ylmethyl)carbamate
SMILESCCOC(=O)NCc1cnc2ccccc2n1
InChIInChI=1S/C12H13N3O2/c1-2-17-12(16)14-8-9-7-13-10-5-3-4-6-11(10)15-9/h3-7H,2,8H2,1H3,(H,14,16)
InChIKeyFTYRFAAXEFNUFP-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.88
Rot. Bonds3

About ethyl N-(quinoxalin-2-ylmethyl)carbamate

ethyl N-(quinoxalin-2-ylmethyl)carbamate (PubChem CID 110869614) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl N-(quinoxalin-2-ylmethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(quinoxalin-2-ylmethyl)carbamate
PubChem CID110869614
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Nameethyl N-(quinoxalin-2-ylmethyl)carbamate
SMILESCCOC(=O)NCc1cnc2ccccc2n1
InChIInChI=1S/C12H13N3O2/c1-2-17-12(16)14-8-9-7-13-10-5-3-4-6-11(10)15-9/h3-7H,2,8H2,1H3,(H,14,16)
InChIKeyFTYRFAAXEFNUFP-UHFFFAOYSA-N
XLogP1.88
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(quinoxalin-2-ylmethyl)carbamate?
The IUPAC name of ethyl N-(quinoxalin-2-ylmethyl)carbamate (CID 110869614) is ethyl N-(quinoxalin-2-ylmethyl)carbamate.
What is the SMILES notation for ethyl N-(quinoxalin-2-ylmethyl)carbamate?
The canonical SMILES for ethyl N-(quinoxalin-2-ylmethyl)carbamate is CCOC(=O)NCc1cnc2ccccc2n1.
What is the InChIKey of ethyl N-(quinoxalin-2-ylmethyl)carbamate?
The InChIKey is FTYRFAAXEFNUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-17-12(16)14-8-9-7-13-10-5-3-4-6-11(10)15-9/h3-7H,2,8H2,1H3,(H,14,16).
What are the key properties of ethyl N-(quinoxalin-2-ylmethyl)carbamate?
ethyl N-(quinoxalin-2-ylmethyl)carbamate has a molecular weight of 231.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(quinoxalin-2-ylmethyl)carbamate is sourced from PubChem (CID 110869614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).