benzyl N-[3-(6-aminoquinoxalin-5-yl)prop-2-enyl]carbamate

C19H18N4O2 — CID 169472384

IUPACbenzyl N-[3-(6-aminoquinoxalin-5-yl)prop-2-enyl]carbamate
SMILESNc1ccc2nccnc2c1C=CCNC(=O)OCc1ccccc1
InChIInChI=1S/C19H18N4O2/c20-16-8-9-17-18(22-12-11-21-17)15(16)7-4-10-23-19(24)25-13-14-5-2-1-3-6-14/h1-9,11-12H,10,13,20H2,(H,23,24)
InChIKeyQDHSQYAFBZHLIR-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.15
Rot. Bonds5

About benzyl N-[3-(6-aminoquinoxalin-5-yl)prop-2-enyl]carbamate

benzyl N-[3-(6-aminoquinoxalin-5-yl)prop-2-enyl]carbamate (PubChem CID 169472384) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is benzyl N-[3-(6-aminoquinoxalin-5-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(6-aminoquinoxalin-5-yl)prop-2-enyl]carbamate
PubChem CID169472384
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Namebenzyl N-[3-(6-aminoquinoxalin-5-yl)prop-2-enyl]carbamate
SMILESNc1ccc2nccnc2c1C=CCNC(=O)OCc1ccccc1
InChIInChI=1S/C19H18N4O2/c20-16-8-9-17-18(22-12-11-21-17)15(16)7-4-10-23-19(24)25-13-14-5-2-1-3-6-14/h1-9,11-12H,10,13,20H2,(H,23,24)
InChIKeyQDHSQYAFBZHLIR-UHFFFAOYSA-N
XLogP3.15
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[3-(3-amino-2-pyridinyl)prop-2-enyl]carbamate
CID 169471041
benzyl N-[3-(2-amino-4-chlorophenyl)prop-2-enyl]carbamate
CID 169471287
benzyl N-[3-(4-amino-2,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169471640
benzyl N-[3-(2-chloro-3-pyridinyl)prop-2-enyl]carbamate
CID 169471062
benzyl N-[3-(2-fluoro-4-iodo-3-pyridinyl)prop-2-enyl]carbamate
CID 169472949
benzyl N-[3-(5-amino-2-methylphenyl)prop-2-enyl]carbamate
CID 169471314
benzyl N-[3-(2-amino-5-methyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169471246
benzyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 146295191
benzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate
CID 169472018
benzyl N-[3-(2,4-dichloropyrimidin-5-yl)prop-2-enyl]carbamate
CID 169471267
benzyl N-[3-(3-chloro-4-pyridinyl)prop-2-enyl]carbamate
CID 169471067
benzyl N-[3-[4-(hydroxymethyl)-2-pyridinyl]prop-2-enyl]carbamate
CID 169471365

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(6-aminoquinoxalin-5-yl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(6-aminoquinoxalin-5-yl)prop-2-enyl]carbamate (CID 169472384) is benzyl N-[3-(6-aminoquinoxalin-5-yl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(6-aminoquinoxalin-5-yl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(6-aminoquinoxalin-5-yl)prop-2-enyl]carbamate is Nc1ccc2nccnc2c1C=CCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(6-aminoquinoxalin-5-yl)prop-2-enyl]carbamate?
The InChIKey is QDHSQYAFBZHLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-16-8-9-17-18(22-12-11-21-17)15(16)7-4-10-23-19(24)25-13-14-5-2-1-3-6-14/h1-9,11-12H,10,13,20H2,(H,23,24).
What are the key properties of benzyl N-[3-(6-aminoquinoxalin-5-yl)prop-2-enyl]carbamate?
benzyl N-[3-(6-aminoquinoxalin-5-yl)prop-2-enyl]carbamate has a molecular weight of 334.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(6-aminoquinoxalin-5-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169472384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).