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

C24H27N3O2 — CID 2946503

IUPAC5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one
SMILESCCC1(C)Cc2ccccc2-c2nc(NCCO)n(-c3ccc(C)cc3)c(=O)c21
InChIInChI=1S/C24H27N3O2/c1-4-24(3)15-17-7-5-6-8-19(17)21-20(24)22(29)27(23(26-21)25-13-14-28)18-11-9-16(2)10-12-18/h5-12,28H,4,13-15H2,1-3H3,(H,25,26)
InChIKeyBXMLHYFZRQZDSF-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.84
Rot. Bonds5

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

5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one (PubChem CID 2946503) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one
PubChem CID2946503
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one
SMILESCCC1(C)Cc2ccccc2-c2nc(NCCO)n(-c3ccc(C)cc3)c(=O)c21
InChIInChI=1S/C24H27N3O2/c1-4-24(3)15-17-7-5-6-8-19(17)21-20(24)22(29)27(23(26-21)25-13-14-28)18-11-9-16(2)10-12-18/h5-12,28H,4,13-15H2,1-3H3,(H,25,26)
InChIKeyBXMLHYFZRQZDSF-UHFFFAOYSA-N
XLogP3.84
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-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-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one?
The IUPAC name of 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one (CID 2946503) is 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one.
What is the SMILES notation for 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one?
The canonical SMILES for 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one is CCC1(C)Cc2ccccc2-c2nc(NCCO)n(-c3ccc(C)cc3)c(=O)c21.
What is the InChIKey of 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one?
The InChIKey is BXMLHYFZRQZDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-4-24(3)15-17-7-5-6-8-19(17)21-20(24)22(29)27(23(26-21)25-13-14-28)18-11-9-16(2)10-12-18/h5-12,28H,4,13-15H2,1-3H3,(H,25,26).
What are the key properties of 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one?
5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one has a molecular weight of 389.50 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one is sourced from PubChem (CID 2946503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).