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

C24H31N3O — CID 3987266

IUPAC2-(3,5-dimethylpiperidin-1-yl)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(C)CN(c2ncc3c(n2)CC(c2ccc(C(C)C)cc2)CC3=O)C1
InChIInChI=1S/C24H31N3O/c1-15(2)18-5-7-19(8-6-18)20-10-22-21(23(28)11-20)12-25-24(26-22)27-13-16(3)9-17(4)14-27/h5-8,12,15-17,20H,9-11,13-14H2,1-4H3
InChIKeyIKWWYWAQMYAQTI-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.99
Rot. Bonds3

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

2-(3,5-dimethylpiperidin-1-yl)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 3987266) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID3987266
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(C)CN(c2ncc3c(n2)CC(c2ccc(C(C)C)cc2)CC3=O)C1
InChIInChI=1S/C24H31N3O/c1-15(2)18-5-7-19(8-6-18)20-10-22-21(23(28)11-20)12-25-24(26-22)27-13-16(3)9-17(4)14-27/h5-8,12,15-17,20H,9-11,13-14H2,1-4H3
InChIKeyIKWWYWAQMYAQTI-UHFFFAOYSA-N
XLogP4.99
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.99
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-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 3987266) is 2-(3,5-dimethylpiperidin-1-yl)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one is CC1CC(C)CN(c2ncc3c(n2)CC(c2ccc(C(C)C)cc2)CC3=O)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is IKWWYWAQMYAQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-15(2)18-5-7-19(8-6-18)20-10-22-21(23(28)11-20)12-25-24(26-22)27-13-16(3)9-17(4)14-27/h5-8,12,15-17,20H,9-11,13-14H2,1-4H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
2-(3,5-dimethylpiperidin-1-yl)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 377.53 g/mol, XLogP of 4.99, 3 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-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 3987266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).