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

C21H25N3O — CID 664565

IUPAC2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(C)CN(c2ncc3c(n2)CC(c2ccccc2)CC3=O)C1
InChIInChI=1S/C21H25N3O/c1-14-8-15(2)13-24(12-14)21-22-11-18-19(23-21)9-17(10-20(18)25)16-6-4-3-5-7-16/h3-7,11,14-15,17H,8-10,12-13H2,1-2H3
InChIKeyBXEYNVPEAPCUBT-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.87
Rot. Bonds2

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

2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 664565) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID664565
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(C)CN(c2ncc3c(n2)CC(c2ccccc2)CC3=O)C1
InChIInChI=1S/C21H25N3O/c1-14-8-15(2)13-24(12-14)21-22-11-18-19(23-21)9-17(10-20(18)25)16-6-4-3-5-7-16/h3-7,11,14-15,17H,8-10,12-13H2,1-2H3
InChIKeyBXEYNVPEAPCUBT-UHFFFAOYSA-N
XLogP3.87
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.87
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-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (CID 664565) is 2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is CC1CC(C)CN(c2ncc3c(n2)CC(c2ccccc2)CC3=O)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is BXEYNVPEAPCUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-14-8-15(2)13-24(12-14)21-22-11-18-19(23-21)9-17(10-20(18)25)16-6-4-3-5-7-16/h3-7,11,14-15,17H,8-10,12-13H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 335.45 g/mol, XLogP of 3.87, 2 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-phenyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 664565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).