benzyl N-[1-(quinoxaline-6-carbonyl)azetidin-3-yl]carbamate

C20H18N4O3 — CID 146024090

IUPACbenzyl N-[1-(quinoxaline-6-carbonyl)azetidin-3-yl]carbamate
SMILESO=C(NC1CN(C(=O)c2ccc3nccnc3c2)C1)OCc1ccccc1
InChIInChI=1S/C20H18N4O3/c25-19(15-6-7-17-18(10-15)22-9-8-21-17)24-11-16(12-24)23-20(26)27-13-14-4-2-1-3-5-14/h1-10,16H,11-13H2,(H,23,26)
InChIKeyDZWGEAQDNOZZAN-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.38
Rot. Bonds4

About benzyl N-[1-(quinoxaline-6-carbonyl)azetidin-3-yl]carbamate

benzyl N-[1-(quinoxaline-6-carbonyl)azetidin-3-yl]carbamate (PubChem CID 146024090) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is benzyl N-[1-(quinoxaline-6-carbonyl)azetidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(quinoxaline-6-carbonyl)azetidin-3-yl]carbamate
PubChem CID146024090
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Namebenzyl N-[1-(quinoxaline-6-carbonyl)azetidin-3-yl]carbamate
SMILESO=C(NC1CN(C(=O)c2ccc3nccnc3c2)C1)OCc1ccccc1
InChIInChI=1S/C20H18N4O3/c25-19(15-6-7-17-18(10-15)22-9-8-21-17)24-11-16(12-24)23-20(26)27-13-14-4-2-1-3-5-14/h1-10,16H,11-13H2,(H,23,26)
InChIKeyDZWGEAQDNOZZAN-UHFFFAOYSA-N
XLogP2.38
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[3-(quinoxalin-6-ylamino)cyclobutyl]carbamate
CID 103393221
benzyl N-(1-acetylazetidin-3-yl)carbamate
CID 118370546
benzyl N-[1-(4-chlorobenzoyl)piperidin-3-yl]carbamate
CID 68593392
(3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone
CID 63754364
[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-quinoxalin-6-ylmethanone
CID 72881858
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]azetidin-3-yl]carbamate
CID 146024142
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone
CID 121184096
benzyl 5-(phenylmethoxycarbonylamino)-3-azabicyclo[5.1.0]octane-3-carboxylate
CID 155145710
benzyl N-[1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]piperidin-3-yl]carbamate
CID 118033815

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(quinoxaline-6-carbonyl)azetidin-3-yl]carbamate?
The IUPAC name of benzyl N-[1-(quinoxaline-6-carbonyl)azetidin-3-yl]carbamate (CID 146024090) is benzyl N-[1-(quinoxaline-6-carbonyl)azetidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(quinoxaline-6-carbonyl)azetidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[1-(quinoxaline-6-carbonyl)azetidin-3-yl]carbamate is O=C(NC1CN(C(=O)c2ccc3nccnc3c2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(quinoxaline-6-carbonyl)azetidin-3-yl]carbamate?
The InChIKey is DZWGEAQDNOZZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c25-19(15-6-7-17-18(10-15)22-9-8-21-17)24-11-16(12-24)23-20(26)27-13-14-4-2-1-3-5-14/h1-10,16H,11-13H2,(H,23,26).
What are the key properties of benzyl N-[1-(quinoxaline-6-carbonyl)azetidin-3-yl]carbamate?
benzyl N-[1-(quinoxaline-6-carbonyl)azetidin-3-yl]carbamate has a molecular weight of 362.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(quinoxaline-6-carbonyl)azetidin-3-yl]carbamate is sourced from PubChem (CID 146024090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).