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

C23H25N3O2 — CID 662521

IUPAC5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-phenyl-6H-benzo[h]quinazolin-4-one
SMILESCCC1(C)Cc2ccccc2-c2nc(NCCO)n(-c3ccccc3)c(=O)c21
InChIInChI=1S/C23H25N3O2/c1-3-23(2)15-16-9-7-8-12-18(16)20-19(23)21(28)26(17-10-5-4-6-11-17)22(25-20)24-13-14-27/h4-12,27H,3,13-15H2,1-2H3,(H,24,25)
InChIKeyXDIJFTWBSBJILS-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.53
Rot. Bonds5

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

5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-phenyl-6H-benzo[h]quinazolin-4-one (PubChem CID 662521) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-phenyl-6H-benzo[h]quinazolin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-phenyl-6H-benzo[h]quinazolin-4-one
PubChem CID662521
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-phenyl-6H-benzo[h]quinazolin-4-one
SMILESCCC1(C)Cc2ccccc2-c2nc(NCCO)n(-c3ccccc3)c(=O)c21
InChIInChI=1S/C23H25N3O2/c1-3-23(2)15-16-9-7-8-12-18(16)20-19(23)21(28)26(17-10-5-4-6-11-17)22(25-20)24-13-14-27/h4-12,27H,3,13-15H2,1-2H3,(H,24,25)
InChIKeyXDIJFTWBSBJILS-UHFFFAOYSA-N
XLogP3.53
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-phenyl-6H-benzo[h]quinazolin-4-one?
The IUPAC name of 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-phenyl-6H-benzo[h]quinazolin-4-one (CID 662521) is 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-phenyl-6H-benzo[h]quinazolin-4-one.
What is the SMILES notation for 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-phenyl-6H-benzo[h]quinazolin-4-one?
The canonical SMILES for 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-phenyl-6H-benzo[h]quinazolin-4-one is CCC1(C)Cc2ccccc2-c2nc(NCCO)n(-c3ccccc3)c(=O)c21.
What is the InChIKey of 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-phenyl-6H-benzo[h]quinazolin-4-one?
The InChIKey is XDIJFTWBSBJILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-3-23(2)15-16-9-7-8-12-18(16)20-19(23)21(28)26(17-10-5-4-6-11-17)22(25-20)24-13-14-27/h4-12,27H,3,13-15H2,1-2H3,(H,24,25).
What are the key properties of 5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-phenyl-6H-benzo[h]quinazolin-4-one?
5-ethyl-2-(2-hydroxyethylamino)-5-methyl-3-phenyl-6H-benzo[h]quinazolin-4-one has a molecular weight of 375.47 g/mol, XLogP of 3.53, 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-phenyl-6H-benzo[h]quinazolin-4-one is sourced from PubChem (CID 662521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).