6-amino-3H-quinolin-2-one

C9H8N2O — CID 90852821

IUPAC6-amino-3H-quinolin-2-one
SMILESNc1ccc2c(c1)=CCC(=O)N=2
InChIInChI=1S/C9H8N2O/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-3,5H,4,10H2
InChIKeySNOMFDZGBVJVJU-UHFFFAOYSA-N
MW160.18 g/mol
LogP-0.40
Rot. Bonds

About 6-amino-3H-quinolin-2-one

6-amino-3H-quinolin-2-one (PubChem CID 90852821) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 6-amino-3H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-3H-quinolin-2-one
PubChem CID90852821
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name6-amino-3H-quinolin-2-one
SMILESNc1ccc2c(c1)=CCC(=O)N=2
InChIInChI=1S/C9H8N2O/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-3,5H,4,10H2
InChIKeySNOMFDZGBVJVJU-UHFFFAOYSA-N
XLogP-0.40
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3H-quinolin-2-one?
The IUPAC name of 6-amino-3H-quinolin-2-one (CID 90852821) is 6-amino-3H-quinolin-2-one.
What is the SMILES notation for 6-amino-3H-quinolin-2-one?
The canonical SMILES for 6-amino-3H-quinolin-2-one is Nc1ccc2c(c1)=CCC(=O)N=2.
What is the InChIKey of 6-amino-3H-quinolin-2-one?
The InChIKey is SNOMFDZGBVJVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-3,5H,4,10H2.
What are the key properties of 6-amino-3H-quinolin-2-one?
6-amino-3H-quinolin-2-one has a molecular weight of 160.18 g/mol, XLogP of -0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3H-quinolin-2-one is sourced from PubChem (CID 90852821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).