5-amino-4aH-quinoxalin-2-one

C8H7N3O — CID 75094954

IUPAC5-amino-4aH-quinoxalin-2-one
SMILESNC1=CC=CC2=NC(=O)C=NC12
InChIInChI=1S/C8H7N3O/c9-5-2-1-3-6-8(5)10-4-7(12)11-6/h1-4,8H,9H2
InChIKeyUSQVLHLGCQDJOV-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.18
Rot. Bonds

About 5-amino-4aH-quinoxalin-2-one

5-amino-4aH-quinoxalin-2-one (PubChem CID 75094954) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-amino-4aH-quinoxalin-2-one.

Molecular Properties

Compound Name5-amino-4aH-quinoxalin-2-one
PubChem CID75094954
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name5-amino-4aH-quinoxalin-2-one
SMILESNC1=CC=CC2=NC(=O)C=NC12
InChIInChI=1S/C8H7N3O/c9-5-2-1-3-6-8(5)10-4-7(12)11-6/h1-4,8H,9H2
InChIKeyUSQVLHLGCQDJOV-UHFFFAOYSA-N
XLogP-0.18
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4aH-quinoxalin-2-one?
The IUPAC name of 5-amino-4aH-quinoxalin-2-one (CID 75094954) is 5-amino-4aH-quinoxalin-2-one.
What is the SMILES notation for 5-amino-4aH-quinoxalin-2-one?
The canonical SMILES for 5-amino-4aH-quinoxalin-2-one is NC1=CC=CC2=NC(=O)C=NC12.
What is the InChIKey of 5-amino-4aH-quinoxalin-2-one?
The InChIKey is USQVLHLGCQDJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c9-5-2-1-3-6-8(5)10-4-7(12)11-6/h1-4,8H,9H2.
What are the key properties of 5-amino-4aH-quinoxalin-2-one?
5-amino-4aH-quinoxalin-2-one has a molecular weight of 161.16 g/mol, XLogP of -0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4aH-quinoxalin-2-one is sourced from PubChem (CID 75094954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).