2-(3,5-dimethylpiperidin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one

C17H25N3O — CID 16584109

IUPAC2-(3,5-dimethylpiperidin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CC(C)CC(C)C2)nc2c1C(=O)CC(C)C2
InChIInChI=1S/C17H25N3O/c1-10-6-14-16(15(21)7-10)13(4)18-17(19-14)20-8-11(2)5-12(3)9-20/h10-12H,5-9H2,1-4H3
InChIKeySBVDWOFDNDNJGU-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.03
Rot. Bonds1

About 2-(3,5-dimethylpiperidin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one

2-(3,5-dimethylpiperidin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 16584109) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID16584109
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CC(C)CC(C)C2)nc2c1C(=O)CC(C)C2
InChIInChI=1S/C17H25N3O/c1-10-6-14-16(15(21)7-10)13(4)18-17(19-14)20-8-11(2)5-12(3)9-20/h10-12H,5-9H2,1-4H3
InChIKeySBVDWOFDNDNJGU-UHFFFAOYSA-N
XLogP3.03
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethylpiperidin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-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 2-(3,5-dimethylpiperidin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one (CID 16584109) is 2-(3,5-dimethylpiperidin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N2CC(C)CC(C)C2)nc2c1C(=O)CC(C)C2.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is SBVDWOFDNDNJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-10-6-14-16(15(21)7-10)13(4)18-17(19-14)20-8-11(2)5-12(3)9-20/h10-12H,5-9H2,1-4H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
2-(3,5-dimethylpiperidin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 287.41 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 16584109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).