1-aminoquinolin-2-one

C9H8N2O — CID 3780910

IUPAC1-aminoquinolin-2-one
SMILESNn1c(=O)ccc2ccccc21
InChIInChI=1S/C9H8N2O/c10-11-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,10H2
InChIKeyWVGMJQNJTWAARQ-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.72
Rot. Bonds

About 1-aminoquinolin-2-one

1-aminoquinolin-2-one (PubChem CID 3780910) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 1-aminoquinolin-2-one.

Molecular Properties

Compound Name1-aminoquinolin-2-one
PubChem CID3780910
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name1-aminoquinolin-2-one
SMILESNn1c(=O)ccc2ccccc21
InChIInChI=1S/C9H8N2O/c10-11-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,10H2
InChIKeyWVGMJQNJTWAARQ-UHFFFAOYSA-N
XLogP0.72
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-aminoquinolin-2-one?
The IUPAC name of 1-aminoquinolin-2-one (CID 3780910) is 1-aminoquinolin-2-one.
What is the SMILES notation for 1-aminoquinolin-2-one?
The canonical SMILES for 1-aminoquinolin-2-one is Nn1c(=O)ccc2ccccc21.
What is the InChIKey of 1-aminoquinolin-2-one?
The InChIKey is WVGMJQNJTWAARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-11-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,10H2.
What are the key properties of 1-aminoquinolin-2-one?
1-aminoquinolin-2-one has a molecular weight of 160.18 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoquinolin-2-one is sourced from PubChem (CID 3780910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).