(3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone

C12H12N4O — CID 63754364

IUPAC(3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone
SMILESNC1CN(C(=O)c2ccc3nccnc3c2)C1
InChIInChI=1S/C12H12N4O/c13-9-6-16(7-9)12(17)8-1-2-10-11(5-8)15-4-3-14-10/h1-5,9H,6-7,13H2
InChIKeyKUHMNWSDVWQIEO-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.41
Rot. Bonds1

About (3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone

(3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone (PubChem CID 63754364) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone
PubChem CID63754364
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name(3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone
SMILESNC1CN(C(=O)c2ccc3nccnc3c2)C1
InChIInChI=1S/C12H12N4O/c13-9-6-16(7-9)12(17)8-1-2-10-11(5-8)15-4-3-14-10/h1-5,9H,6-7,13H2
InChIKeyKUHMNWSDVWQIEO-UHFFFAOYSA-N
XLogP0.41
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 62875893
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone
CID 121184096
[3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 163348189
(3-bromopyrrolidin-1-yl)-quinoxalin-6-ylmethanone
CID 80677717
(3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 55185515
[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-quinoxalin-6-ylmethanone
CID 163351656
[(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone
CID 81426962
[2-(aminomethyl)-4-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone
CID 80503980
[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-quinoxalin-6-ylmethanone
CID 155505420
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 121197527
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655
benzyl N-[1-(quinoxaline-6-carbonyl)azetidin-3-yl]carbamate
CID 146024090

Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone?
The IUPAC name of (3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone (CID 63754364) is (3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone.
What is the SMILES notation for (3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone?
The canonical SMILES for (3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone is NC1CN(C(=O)c2ccc3nccnc3c2)C1.
What is the InChIKey of (3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone?
The InChIKey is KUHMNWSDVWQIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-9-6-16(7-9)12(17)8-1-2-10-11(5-8)15-4-3-14-10/h1-5,9H,6-7,13H2.
What are the key properties of (3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone?
(3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone has a molecular weight of 228.25 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone is sourced from PubChem (CID 63754364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).