6-amino-1-(azetidin-3-yl)-3,4-dihydroquinolin-2-one

C12H15N3O — CID 117040514

IUPAC6-amino-1-(azetidin-3-yl)-3,4-dihydroquinolin-2-one
SMILESNc1ccc2c(c1)CCC(=O)N2C1CNC1
InChIInChI=1S/C12H15N3O/c13-9-2-3-11-8(5-9)1-4-12(16)15(11)10-6-14-7-10/h2-3,5,10,14H,1,4,6-7,13H2
InChIKeyJNIPJJVASKFUOK-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.52
Rot. Bonds1

About 6-amino-1-(azetidin-3-yl)-3,4-dihydroquinolin-2-one

6-amino-1-(azetidin-3-yl)-3,4-dihydroquinolin-2-one (PubChem CID 117040514) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-amino-1-(azetidin-3-yl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-(azetidin-3-yl)-3,4-dihydroquinolin-2-one
PubChem CID117040514
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-amino-1-(azetidin-3-yl)-3,4-dihydroquinolin-2-one
SMILESNc1ccc2c(c1)CCC(=O)N2C1CNC1
InChIInChI=1S/C12H15N3O/c13-9-2-3-11-8(5-9)1-4-12(16)15(11)10-6-14-7-10/h2-3,5,10,14H,1,4,6-7,13H2
InChIKeyJNIPJJVASKFUOK-UHFFFAOYSA-N
XLogP0.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.52
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 6-amino-1-(azetidin-3-yl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-amino-1-(azetidin-3-yl)-3,4-dihydroquinolin-2-one (CID 117040514) is 6-amino-1-(azetidin-3-yl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-amino-1-(azetidin-3-yl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-amino-1-(azetidin-3-yl)-3,4-dihydroquinolin-2-one is Nc1ccc2c(c1)CCC(=O)N2C1CNC1.
What is the InChIKey of 6-amino-1-(azetidin-3-yl)-3,4-dihydroquinolin-2-one?
The InChIKey is JNIPJJVASKFUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-9-2-3-11-8(5-9)1-4-12(16)15(11)10-6-14-7-10/h2-3,5,10,14H,1,4,6-7,13H2.
What are the key properties of 6-amino-1-(azetidin-3-yl)-3,4-dihydroquinolin-2-one?
6-amino-1-(azetidin-3-yl)-3,4-dihydroquinolin-2-one has a molecular weight of 217.27 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(azetidin-3-yl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 117040514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).