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

C16H23N3O — CID 4305340

IUPAC2-(3,5-dimethylpiperidin-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(=O)c2cnc(N3CC(C)CC(C)C3)nc2C1
InChIInChI=1S/C16H23N3O/c1-10-5-14-13(15(20)6-10)7-17-16(18-14)19-8-11(2)4-12(3)9-19/h7,10-12H,4-6,8-9H2,1-3H3
InChIKeyFTJKLVIDXBWGOG-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.72
Rot. Bonds1

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

2-(3,5-dimethylpiperidin-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 4305340) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID4305340
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(=O)c2cnc(N3CC(C)CC(C)C3)nc2C1
InChIInChI=1S/C16H23N3O/c1-10-5-14-13(15(20)6-10)7-17-16(18-14)19-8-11(2)4-12(3)9-19/h7,10-12H,4-6,8-9H2,1-3H3
InChIKeyFTJKLVIDXBWGOG-UHFFFAOYSA-N
XLogP2.72
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 4305340) is 2-(3,5-dimethylpiperidin-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one is CC1CC(=O)c2cnc(N3CC(C)CC(C)C3)nc2C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is FTJKLVIDXBWGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10-5-14-13(15(20)6-10)7-17-16(18-14)19-8-11(2)4-12(3)9-19/h7,10-12H,4-6,8-9H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-(3,5-dimethylpiperidin-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 273.38 g/mol, XLogP of 2.72, 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)-7-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 4305340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).