3-(aminomethyl)-3H-quinoxalin-2-one

C9H9N3O — CID 76851164

IUPAC3-(aminomethyl)-3H-quinoxalin-2-one
SMILESNCC1N=c2ccccc2=NC1=O
InChIInChI=1S/C9H9N3O/c10-5-8-9(13)12-7-4-2-1-3-6(7)11-8/h1-4,8H,5,10H2
InChIKeyAVDYNLXRWPUVGQ-UHFFFAOYSA-N
MW175.19 g/mol
LogP-1.21
Rot. Bonds1

About 3-(aminomethyl)-3H-quinoxalin-2-one

3-(aminomethyl)-3H-quinoxalin-2-one (PubChem CID 76851164) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-(aminomethyl)-3H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-3H-quinoxalin-2-one
PubChem CID76851164
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name3-(aminomethyl)-3H-quinoxalin-2-one
SMILESNCC1N=c2ccccc2=NC1=O
InChIInChI=1S/C9H9N3O/c10-5-8-9(13)12-7-4-2-1-3-6(7)11-8/h1-4,8H,5,10H2
InChIKeyAVDYNLXRWPUVGQ-UHFFFAOYSA-N
XLogP-1.21
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2H-quinoline-3-carboxamide
CID 163446550
(3S)-3-methyl-3H-quinoxalin-2-one
CID 119057459
2-Amino-3-quinoxalone
CID 72207653
3-(aminomethyl)-7-fluoro-3H-quinolin-2-one
CID 74251623
(3S)-3-amino-5,6-dihydro-3H-quinolin-2-one
CID 70086438
3-oxo-2H-quinoxaline-2-carboxamide
CID 73180761
3-ethyl-3H-quinoxalin-2-one
CID 76845291
3-methyl-3H-quinoxalin-2-one
CID 90761700
(3R)-3-amino-2,3-dihydro-1,5-benzodiazepin-4-one
CID 139702646
2,3-Dihydroquinoline-2-carboxamide
CID 153996049
3H-quinoxalin-4-ium-2-one chloride
CID 172771425
N-[(1Z)-6-Amino-2,4-cyclohexadien-1-ylidene]acetamide
CID 45078687

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3H-quinoxalin-2-one?
The IUPAC name of 3-(aminomethyl)-3H-quinoxalin-2-one (CID 76851164) is 3-(aminomethyl)-3H-quinoxalin-2-one.
What is the SMILES notation for 3-(aminomethyl)-3H-quinoxalin-2-one?
The canonical SMILES for 3-(aminomethyl)-3H-quinoxalin-2-one is NCC1N=c2ccccc2=NC1=O.
What is the InChIKey of 3-(aminomethyl)-3H-quinoxalin-2-one?
The InChIKey is AVDYNLXRWPUVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-5-8-9(13)12-7-4-2-1-3-6(7)11-8/h1-4,8H,5,10H2.
What are the key properties of 3-(aminomethyl)-3H-quinoxalin-2-one?
3-(aminomethyl)-3H-quinoxalin-2-one has a molecular weight of 175.19 g/mol, XLogP of -1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3H-quinoxalin-2-one is sourced from PubChem (CID 76851164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).