5-ethyl-3-(2-hydroxyethyl)-5-methyl-2-phenyl-6H-benzo[h]quinazolin-4-one

C23H24N2O2 — CID 3732366

IUPAC5-ethyl-3-(2-hydroxyethyl)-5-methyl-2-phenyl-6H-benzo[h]quinazolin-4-one
SMILESCCC1(C)Cc2ccccc2-c2nc(-c3ccccc3)n(CCO)c(=O)c21
InChIInChI=1S/C23H24N2O2/c1-3-23(2)15-17-11-7-8-12-18(17)20-19(23)22(27)25(13-14-26)21(24-20)16-9-5-4-6-10-16/h4-12,26H,3,13-15H2,1-2H3
InChIKeyQWRPVSPLIJKIAM-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.79
Rot. Bonds4

About 5-ethyl-3-(2-hydroxyethyl)-5-methyl-2-phenyl-6H-benzo[h]quinazolin-4-one

5-ethyl-3-(2-hydroxyethyl)-5-methyl-2-phenyl-6H-benzo[h]quinazolin-4-one (PubChem CID 3732366) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 5-ethyl-3-(2-hydroxyethyl)-5-methyl-2-phenyl-6H-benzo[h]quinazolin-4-one.

Molecular Properties

Compound Name5-ethyl-3-(2-hydroxyethyl)-5-methyl-2-phenyl-6H-benzo[h]quinazolin-4-one
PubChem CID3732366
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name5-ethyl-3-(2-hydroxyethyl)-5-methyl-2-phenyl-6H-benzo[h]quinazolin-4-one
SMILESCCC1(C)Cc2ccccc2-c2nc(-c3ccccc3)n(CCO)c(=O)c21
InChIInChI=1S/C23H24N2O2/c1-3-23(2)15-17-11-7-8-12-18(17)20-19(23)22(27)25(13-14-26)21(24-20)16-9-5-4-6-10-16/h4-12,26H,3,13-15H2,1-2H3
InChIKeyQWRPVSPLIJKIAM-UHFFFAOYSA-N
XLogP3.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-3-(2-hydroxyethyl)-5-methyl-2-phenyl-6H-benzo[h]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(2-hydroxyethyl)-5-methyl-2-phenyl-6H-benzo[h]quinazolin-4-one?
The IUPAC name of 5-ethyl-3-(2-hydroxyethyl)-5-methyl-2-phenyl-6H-benzo[h]quinazolin-4-one (CID 3732366) is 5-ethyl-3-(2-hydroxyethyl)-5-methyl-2-phenyl-6H-benzo[h]quinazolin-4-one.
What is the SMILES notation for 5-ethyl-3-(2-hydroxyethyl)-5-methyl-2-phenyl-6H-benzo[h]quinazolin-4-one?
The canonical SMILES for 5-ethyl-3-(2-hydroxyethyl)-5-methyl-2-phenyl-6H-benzo[h]quinazolin-4-one is CCC1(C)Cc2ccccc2-c2nc(-c3ccccc3)n(CCO)c(=O)c21.
What is the InChIKey of 5-ethyl-3-(2-hydroxyethyl)-5-methyl-2-phenyl-6H-benzo[h]quinazolin-4-one?
The InChIKey is QWRPVSPLIJKIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-3-23(2)15-17-11-7-8-12-18(17)20-19(23)22(27)25(13-14-26)21(24-20)16-9-5-4-6-10-16/h4-12,26H,3,13-15H2,1-2H3.
What are the key properties of 5-ethyl-3-(2-hydroxyethyl)-5-methyl-2-phenyl-6H-benzo[h]quinazolin-4-one?
5-ethyl-3-(2-hydroxyethyl)-5-methyl-2-phenyl-6H-benzo[h]quinazolin-4-one has a molecular weight of 360.46 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2-hydroxyethyl)-5-methyl-2-phenyl-6H-benzo[h]quinazolin-4-one is sourced from PubChem (CID 3732366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).