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

C9H8N2O — CID 67878616

IUPAC2-amino-2H-quinolin-6-one
SMILESNC1C=CC2=CC(=O)C=CC2=N1
InChIInChI=1S/C9H8N2O/c10-9-4-1-6-5-7(12)2-3-8(6)11-9/h1-5,9H,10H2
InChIKeyIHFOIVWKPAXWMC-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.35
Rot. Bonds

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

2-amino-2H-quinolin-6-one (PubChem CID 67878616) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-amino-2H-quinolin-6-one.

Molecular Properties

Compound Name2-amino-2H-quinolin-6-one
PubChem CID67878616
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name2-amino-2H-quinolin-6-one
SMILESNC1C=CC2=CC(=O)C=CC2=N1
InChIInChI=1S/C9H8N2O/c10-9-4-1-6-5-7(12)2-3-8(6)11-9/h1-5,9H,10H2
InChIKeyIHFOIVWKPAXWMC-UHFFFAOYSA-N
XLogP0.35
TPSA55.45 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 ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2H-quinolin-6-one?
The IUPAC name of 2-amino-2H-quinolin-6-one (CID 67878616) is 2-amino-2H-quinolin-6-one.
What is the SMILES notation for 2-amino-2H-quinolin-6-one?
The canonical SMILES for 2-amino-2H-quinolin-6-one is NC1C=CC2=CC(=O)C=CC2=N1.
What is the InChIKey of 2-amino-2H-quinolin-6-one?
The InChIKey is IHFOIVWKPAXWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-9-4-1-6-5-7(12)2-3-8(6)11-9/h1-5,9H,10H2.
What are the key properties of 2-amino-2H-quinolin-6-one?
2-amino-2H-quinolin-6-one has a molecular weight of 160.18 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2H-quinolin-6-one is sourced from PubChem (CID 67878616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).