2-(1,2,3,4-tetrahydroquinoxaline-5-carbonylamino)ethyl carbamate

C12H16N4O3 — CID 104615253

IUPAC2-(1,2,3,4-tetrahydroquinoxaline-5-carbonylamino)ethyl carbamate
SMILESNC(=O)OCCNC(=O)c1cccc2c1NCCN2
InChIInChI=1S/C12H16N4O3/c13-12(18)19-7-6-16-11(17)8-2-1-3-9-10(8)15-5-4-14-9/h1-3,14-15H,4-7H2,(H2,13,18)(H,16,17)
InChIKeyNASVSHSKAADLOK-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.35
Rot. Bonds4

About 2-(1,2,3,4-tetrahydroquinoxaline-5-carbonylamino)ethyl carbamate

2-(1,2,3,4-tetrahydroquinoxaline-5-carbonylamino)ethyl carbamate (PubChem CID 104615253) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroquinoxaline-5-carbonylamino)ethyl carbamate.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroquinoxaline-5-carbonylamino)ethyl carbamate
PubChem CID104615253
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name2-(1,2,3,4-tetrahydroquinoxaline-5-carbonylamino)ethyl carbamate
SMILESNC(=O)OCCNC(=O)c1cccc2c1NCCN2
InChIInChI=1S/C12H16N4O3/c13-12(18)19-7-6-16-11(17)8-2-1-3-9-10(8)15-5-4-14-9/h1-3,14-15H,4-7H2,(H2,13,18)(H,16,17)
InChIKeyNASVSHSKAADLOK-UHFFFAOYSA-N
XLogP0.35
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615046
N-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614467
N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614369
N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 106339568
N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615150
N-[2-(dimethylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 106339594
2-(1,2,3,4-tetrahydroquinoxaline-6-carbonylamino)ethyl carbamate
CID 104615254
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615174
2-[(2-fluoro-3-methylbenzoyl)amino]ethyl carbamate
CID 83210686
N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614657
2-[(2-hydroxy-3-methoxybenzoyl)amino]ethyl carbamate
CID 83203383
N-cyclohexyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614463

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydroquinoxaline-5-carbonylamino)ethyl carbamate?
The IUPAC name of 2-(1,2,3,4-tetrahydroquinoxaline-5-carbonylamino)ethyl carbamate (CID 104615253) is 2-(1,2,3,4-tetrahydroquinoxaline-5-carbonylamino)ethyl carbamate.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroquinoxaline-5-carbonylamino)ethyl carbamate?
The canonical SMILES for 2-(1,2,3,4-tetrahydroquinoxaline-5-carbonylamino)ethyl carbamate is NC(=O)OCCNC(=O)c1cccc2c1NCCN2.
What is the InChIKey of 2-(1,2,3,4-tetrahydroquinoxaline-5-carbonylamino)ethyl carbamate?
The InChIKey is NASVSHSKAADLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-12(18)19-7-6-16-11(17)8-2-1-3-9-10(8)15-5-4-14-9/h1-3,14-15H,4-7H2,(H2,13,18)(H,16,17).
What are the key properties of 2-(1,2,3,4-tetrahydroquinoxaline-5-carbonylamino)ethyl carbamate?
2-(1,2,3,4-tetrahydroquinoxaline-5-carbonylamino)ethyl carbamate has a molecular weight of 264.28 g/mol, XLogP of 0.35, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroquinoxaline-5-carbonylamino)ethyl carbamate is sourced from PubChem (CID 104615253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).