3-amino-1H-quinoxalin-2-one

C8H7N3O — CID 4738040

IUPAC3-amino-1H-quinoxalin-2-one
SMILESNc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C8H7N3O/c9-7-8(12)11-6-4-2-1-3-5(6)10-7/h1-4H,(H2,9,10)(H,11,12)
InChIKeyQBBADXPVZMYLKN-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.51
Rot. Bonds

About 3-amino-1H-quinoxalin-2-one

3-amino-1H-quinoxalin-2-one (PubChem CID 4738040) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-amino-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-amino-1H-quinoxalin-2-one
PubChem CID4738040
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name3-amino-1H-quinoxalin-2-one
SMILESNc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C8H7N3O/c9-7-8(12)11-6-4-2-1-3-5(6)10-7/h1-4H,(H2,9,10)(H,11,12)
InChIKeyQBBADXPVZMYLKN-UHFFFAOYSA-N
XLogP0.51
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dihydroxyquinoxaline
CID 27491
3-Methylquinoxalin-2-ol
CID 26384
2(1H)-Quinoxalinone
CID 14526
3-(Trifluoromethyl)-1,2-dihydroquinoxalin-2-one
CID 611792
3-Ethylquinoxalin-2(1H)-one
CID 599963
3-(Bromomethyl)-1,2-dihydroquinoxalin-2-one
CID 286254
3-Hydrazinoquinoxalin-2-ol
CID 693318
2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-(dimethylamino)-
CID 100631
3-(Diethylamino)-1,2-dihydroquinoxalin-2-one
CID 2410719
N,N'-(o-phenylene)di(acetamide)
CID 74911
3-[(3-Methoxypropyl)amino]-1,2-dihydroquinoxalin-2-one
CID 2408944
3-[Cyclohexyl(methyl)amino]-1,2-dihydroquinoxalin-2-one
CID 2409060

Frequently Asked Questions

What is the IUPAC name of 3-amino-1H-quinoxalin-2-one?
The IUPAC name of 3-amino-1H-quinoxalin-2-one (CID 4738040) is 3-amino-1H-quinoxalin-2-one.
What is the SMILES notation for 3-amino-1H-quinoxalin-2-one?
The canonical SMILES for 3-amino-1H-quinoxalin-2-one is Nc1nc2ccccc2[nH]c1=O.
What is the InChIKey of 3-amino-1H-quinoxalin-2-one?
The InChIKey is QBBADXPVZMYLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c9-7-8(12)11-6-4-2-1-3-5(6)10-7/h1-4H,(H2,9,10)(H,11,12).
What are the key properties of 3-amino-1H-quinoxalin-2-one?
3-amino-1H-quinoxalin-2-one has a molecular weight of 161.16 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1H-quinoxalin-2-one is sourced from PubChem (CID 4738040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).