7-amino-6-(4,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one

C16H23N3O — CID 62936875

IUPAC7-amino-6-(4,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC1(C)CCN(c2cc3c(cc2N)NC(=O)CC3)CC1
InChIInChI=1S/C16H23N3O/c1-16(2)5-7-19(8-6-16)14-9-11-3-4-15(20)18-13(11)10-12(14)17/h9-10H,3-8,17H2,1-2H3,(H,18,20)
InChIKeyIIJNWDJLEBBELJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.78
Rot. Bonds1

About 7-amino-6-(4,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one

7-amino-6-(4,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 62936875) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 7-amino-6-(4,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-(4,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID62936875
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name7-amino-6-(4,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC1(C)CCN(c2cc3c(cc2N)NC(=O)CC3)CC1
InChIInChI=1S/C16H23N3O/c1-16(2)5-7-19(8-6-16)14-9-11-3-4-15(20)18-13(11)10-12(14)17/h9-10H,3-8,17H2,1-2H3,(H,18,20)
InChIKeyIIJNWDJLEBBELJ-UHFFFAOYSA-N
XLogP2.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 7-amino-6-(4,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(4,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-(4,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one (CID 62936875) is 7-amino-6-(4,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-(4,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-(4,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one is CC1(C)CCN(c2cc3c(cc2N)NC(=O)CC3)CC1.
What is the InChIKey of 7-amino-6-(4,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IIJNWDJLEBBELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(2)5-7-19(8-6-16)14-9-11-3-4-15(20)18-13(11)10-12(14)17/h9-10H,3-8,17H2,1-2H3,(H,18,20).
What are the key properties of 7-amino-6-(4,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-(4,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(4,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 62936875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).