[2-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone

C14H16N4O — CID 103807500

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
SMILESNCC1CCCN1C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C14H16N4O/c15-8-10-4-3-7-18(10)14(19)13-9-16-11-5-1-2-6-12(11)17-13/h1-2,5-6,9-10H,3-4,7-8,15H2
InChIKeyMAGVHWHEMPQNSI-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.19
Rot. Bonds2

About [2-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone

[2-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 103807500) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID103807500
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
SMILESNCC1CCCN1C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C14H16N4O/c15-8-10-4-3-7-18(10)14(19)13-9-16-11-5-1-2-6-12(11)17-13/h1-2,5-6,9-10H,3-4,7-8,15H2
InChIKeyMAGVHWHEMPQNSI-UHFFFAOYSA-N
XLogP1.19
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 79029003
[2-(aminomethyl)-3-methylpiperidin-1-yl]-quinoxalin-2-ylmethanone
CID 103807129
[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 103807625
[2-(3-aminopropyl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 63765568
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
[3-(2-aminoethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 107356517
(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629638
[2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62957995
[3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl]-quinoxalin-2-ylmethanone
CID 90568921
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
[2-(aminomethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 119634575
[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 91782819

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone (CID 103807500) is [2-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone is NCC1CCCN1C(=O)c1cnc2ccccc2n1.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is MAGVHWHEMPQNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-8-10-4-3-7-18(10)14(19)13-9-16-11-5-1-2-6-12(11)17-13/h1-2,5-6,9-10H,3-4,7-8,15H2.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone?
[2-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 256.31 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 103807500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).