2-(quinoxalin-2-ylmethylamino)ethyl carbamate

C12H14N4O2 — CID 83211992

IUPAC2-(quinoxalin-2-ylmethylamino)ethyl carbamate
SMILESNC(=O)OCCNCc1cnc2ccccc2n1
InChIInChI=1S/C12H14N4O2/c13-12(17)18-6-5-14-7-9-8-15-10-3-1-2-4-11(10)16-9/h1-4,8,14H,5-7H2,(H2,13,17)
InChIKeyAKEKFRRASPUMMR-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.81
Rot. Bonds5

About 2-(quinoxalin-2-ylmethylamino)ethyl carbamate

2-(quinoxalin-2-ylmethylamino)ethyl carbamate (PubChem CID 83211992) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(quinoxalin-2-ylmethylamino)ethyl carbamate.

Molecular Properties

Compound Name2-(quinoxalin-2-ylmethylamino)ethyl carbamate
PubChem CID83211992
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-(quinoxalin-2-ylmethylamino)ethyl carbamate
SMILESNC(=O)OCCNCc1cnc2ccccc2n1
InChIInChI=1S/C12H14N4O2/c13-12(17)18-6-5-14-7-9-8-15-10-3-1-2-4-11(10)16-9/h1-4,8,14H,5-7H2,(H2,13,17)
InChIKeyAKEKFRRASPUMMR-UHFFFAOYSA-N
XLogP0.81
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43778393
ethyl 4-(quinoxalin-2-ylmethylamino)butanoate
CID 64578319
3-methoxy-N-(quinoxalin-2-ylmethyl)propan-1-amine
CID 43769565
ethyl N-(quinoxalin-2-ylmethyl)carbamate
CID 110869614
2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate
CID 83211810
2-(quinolin-8-ylmethylamino)ethyl carbamate
CID 83209261
2-pyridin-3-yl-N-(quinoxalin-2-ylmethyl)ethanamine
CID 60914777
1-pyridin-4-yl-N-(quinoxalin-2-ylmethyl)methanamine
CID 43769368
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl carbamate
CID 83211307
2-prop-2-enylsulfanyl-N-(quinoxalin-2-ylmethyl)ethanamine
CID 114187277
2-morpholin-4-yl-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43764194
4,4-dimethyl-5-(quinoxalin-2-ylmethylamino)pentan-1-ol
CID 106144835

Frequently Asked Questions

What is the IUPAC name of 2-(quinoxalin-2-ylmethylamino)ethyl carbamate?
The IUPAC name of 2-(quinoxalin-2-ylmethylamino)ethyl carbamate (CID 83211992) is 2-(quinoxalin-2-ylmethylamino)ethyl carbamate.
What is the SMILES notation for 2-(quinoxalin-2-ylmethylamino)ethyl carbamate?
The canonical SMILES for 2-(quinoxalin-2-ylmethylamino)ethyl carbamate is NC(=O)OCCNCc1cnc2ccccc2n1.
What is the InChIKey of 2-(quinoxalin-2-ylmethylamino)ethyl carbamate?
The InChIKey is AKEKFRRASPUMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-12(17)18-6-5-14-7-9-8-15-10-3-1-2-4-11(10)16-9/h1-4,8,14H,5-7H2,(H2,13,17).
What are the key properties of 2-(quinoxalin-2-ylmethylamino)ethyl carbamate?
2-(quinoxalin-2-ylmethylamino)ethyl carbamate has a molecular weight of 246.27 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinoxalin-2-ylmethylamino)ethyl carbamate is sourced from PubChem (CID 83211992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).