5-amino-2,3-dihydro-1H-quinolin-4-one

C9H10N2O — CID 130045561

IUPAC5-amino-2,3-dihydro-1H-quinolin-4-one
SMILESNc1cccc2c1C(=O)CCN2
InChIInChI=1S/C9H10N2O/c10-6-2-1-3-7-9(6)8(12)4-5-11-7/h1-3,11H,4-5,10H2
InChIKeyZOJKUKGSBWSGRH-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.27
Rot. Bonds

About 5-amino-2,3-dihydro-1H-quinolin-4-one

5-amino-2,3-dihydro-1H-quinolin-4-one (PubChem CID 130045561) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-amino-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name5-amino-2,3-dihydro-1H-quinolin-4-one
PubChem CID130045561
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name5-amino-2,3-dihydro-1H-quinolin-4-one
SMILESNc1cccc2c1C(=O)CCN2
InChIInChI=1S/C9H10N2O/c10-6-2-1-3-7-9(6)8(12)4-5-11-7/h1-3,11H,4-5,10H2
InChIKeyZOJKUKGSBWSGRH-UHFFFAOYSA-N
XLogP1.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 5-amino-2,3-dihydro-1H-quinolin-4-one (CID 130045561) is 5-amino-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 5-amino-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 5-amino-2,3-dihydro-1H-quinolin-4-one is Nc1cccc2c1C(=O)CCN2.
What is the InChIKey of 5-amino-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is ZOJKUKGSBWSGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c10-6-2-1-3-7-9(6)8(12)4-5-11-7/h1-3,11H,4-5,10H2.
What are the key properties of 5-amino-2,3-dihydro-1H-quinolin-4-one?
5-amino-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 162.19 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 130045561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).