3-benzyl-5,5-dimethyl-2-prop-2-enyl-6H-benzo[h]quinazolin-4-one

C24H24N2O — CID 1253890

IUPAC3-benzyl-5,5-dimethyl-2-prop-2-enyl-6H-benzo[h]quinazolin-4-one
SMILESC=CCc1nc2c(c(=O)n1Cc1ccccc1)C(C)(C)Cc1ccccc1-2
InChIInChI=1S/C24H24N2O/c1-4-10-20-25-22-19-14-9-8-13-18(19)15-24(2,3)21(22)23(27)26(20)16-17-11-6-5-7-12-17/h4-9,11-14H,1,10,15-16H2,2-3H3
InChIKeyGOGPMPBDFJLIMK-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.52
Rot. Bonds4

About 3-benzyl-5,5-dimethyl-2-prop-2-enyl-6H-benzo[h]quinazolin-4-one

3-benzyl-5,5-dimethyl-2-prop-2-enyl-6H-benzo[h]quinazolin-4-one (PubChem CID 1253890) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-benzyl-5,5-dimethyl-2-prop-2-enyl-6H-benzo[h]quinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-5,5-dimethyl-2-prop-2-enyl-6H-benzo[h]quinazolin-4-one
PubChem CID1253890
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name3-benzyl-5,5-dimethyl-2-prop-2-enyl-6H-benzo[h]quinazolin-4-one
SMILESC=CCc1nc2c(c(=O)n1Cc1ccccc1)C(C)(C)Cc1ccccc1-2
InChIInChI=1S/C24H24N2O/c1-4-10-20-25-22-19-14-9-8-13-18(19)15-24(2,3)21(22)23(27)26(20)16-17-11-6-5-7-12-17/h4-9,11-14H,1,10,15-16H2,2-3H3
InChIKeyGOGPMPBDFJLIMK-UHFFFAOYSA-N
XLogP4.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5,5-dimethyl-2-prop-2-enyl-6H-benzo[h]quinazolin-4-one?
The IUPAC name of 3-benzyl-5,5-dimethyl-2-prop-2-enyl-6H-benzo[h]quinazolin-4-one (CID 1253890) is 3-benzyl-5,5-dimethyl-2-prop-2-enyl-6H-benzo[h]quinazolin-4-one.
What is the SMILES notation for 3-benzyl-5,5-dimethyl-2-prop-2-enyl-6H-benzo[h]quinazolin-4-one?
The canonical SMILES for 3-benzyl-5,5-dimethyl-2-prop-2-enyl-6H-benzo[h]quinazolin-4-one is C=CCc1nc2c(c(=O)n1Cc1ccccc1)C(C)(C)Cc1ccccc1-2.
What is the InChIKey of 3-benzyl-5,5-dimethyl-2-prop-2-enyl-6H-benzo[h]quinazolin-4-one?
The InChIKey is GOGPMPBDFJLIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-4-10-20-25-22-19-14-9-8-13-18(19)15-24(2,3)21(22)23(27)26(20)16-17-11-6-5-7-12-17/h4-9,11-14H,1,10,15-16H2,2-3H3.
What are the key properties of 3-benzyl-5,5-dimethyl-2-prop-2-enyl-6H-benzo[h]quinazolin-4-one?
3-benzyl-5,5-dimethyl-2-prop-2-enyl-6H-benzo[h]quinazolin-4-one has a molecular weight of 356.47 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5,5-dimethyl-2-prop-2-enyl-6H-benzo[h]quinazolin-4-one is sourced from PubChem (CID 1253890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).