benzyl N-[3-(quinoxalin-6-ylamino)cyclobutyl]carbamate

C20H20N4O2 — CID 103393221

IUPACbenzyl N-[3-(quinoxalin-6-ylamino)cyclobutyl]carbamate
SMILESO=C(NC1CC(Nc2ccc3nccnc3c2)C1)OCc1ccccc1
InChIInChI=1S/C20H20N4O2/c25-20(26-13-14-4-2-1-3-5-14)24-17-10-16(11-17)23-15-6-7-18-19(12-15)22-9-8-21-18/h1-9,12,16-17,23H,10-11,13H2,(H,24,25)
InChIKeyYPGXHANXEGTMCM-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.50
Rot. Bonds5

About benzyl N-[3-(quinoxalin-6-ylamino)cyclobutyl]carbamate

benzyl N-[3-(quinoxalin-6-ylamino)cyclobutyl]carbamate (PubChem CID 103393221) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is benzyl N-[3-(quinoxalin-6-ylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(quinoxalin-6-ylamino)cyclobutyl]carbamate
PubChem CID103393221
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Namebenzyl N-[3-(quinoxalin-6-ylamino)cyclobutyl]carbamate
SMILESO=C(NC1CC(Nc2ccc3nccnc3c2)C1)OCc1ccccc1
InChIInChI=1S/C20H20N4O2/c25-20(26-13-14-4-2-1-3-5-14)24-17-10-16(11-17)23-15-6-7-18-19(12-15)22-9-8-21-18/h1-9,12,16-17,23H,10-11,13H2,(H,24,25)
InChIKeyYPGXHANXEGTMCM-UHFFFAOYSA-N
XLogP3.50
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[3-(3-carbamoylanilino)cyclobutyl]carbamate
CID 103392870
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate
CID 103393638
benzyl N-[3-(3-iodoanilino)cyclobutyl]carbamate
CID 103392947
benzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate
CID 103392779
benzyl N-[3-(4-ethoxyanilino)cyclobutyl]carbamate
CID 103392743
benzyl N-[3-(4-carbamoyl-3-chloroanilino)cyclobutyl]carbamate
CID 103393137
benzyl N-[3-(1H-indazol-5-ylamino)cyclobutyl]carbamate
CID 103393058
benzyl N-[3-(3-bromo-4-methoxyanilino)cyclobutyl]carbamate
CID 103393510
benzyl N-[3-[(6-ethoxy-3-pyridinyl)amino]cyclobutyl]carbamate
CID 103393572
benzyl N-[1-(quinoxaline-6-carbonyl)azetidin-3-yl]carbamate
CID 146024090
benzyl N-[3-(4-methylsulfonylanilino)cyclobutyl]carbamate
CID 103392797

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(quinoxalin-6-ylamino)cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-(quinoxalin-6-ylamino)cyclobutyl]carbamate (CID 103393221) is benzyl N-[3-(quinoxalin-6-ylamino)cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-(quinoxalin-6-ylamino)cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-(quinoxalin-6-ylamino)cyclobutyl]carbamate is O=C(NC1CC(Nc2ccc3nccnc3c2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(quinoxalin-6-ylamino)cyclobutyl]carbamate?
The InChIKey is YPGXHANXEGTMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(26-13-14-4-2-1-3-5-14)24-17-10-16(11-17)23-15-6-7-18-19(12-15)22-9-8-21-18/h1-9,12,16-17,23H,10-11,13H2,(H,24,25).
What are the key properties of benzyl N-[3-(quinoxalin-6-ylamino)cyclobutyl]carbamate?
benzyl N-[3-(quinoxalin-6-ylamino)cyclobutyl]carbamate has a molecular weight of 348.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(quinoxalin-6-ylamino)cyclobutyl]carbamate is sourced from PubChem (CID 103393221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).