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

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

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Related Compounds

2-(4-Ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 1416467
2-[(2,4-dimethylphenyl)amino]-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 4917731
2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 631488
2-(2,3-dihydro-1H-indol-1-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 943239
7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 665345
7-methyl-2-[(3-methylphenyl)amino]-7,8-dihydroquinazolin-5(6H)-one
CID 665688
2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 2986465
ER-37328
CID 21849939
2-(2,3-dihydro-1H-indol-1-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 663648
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 663860
7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 665531
7-(3-chlorophenyl)-2-(morpholin-4-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 665689

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).