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

C22H22N2O2 — CID 719834

IUPAC3-(2-hydroxyethyl)-5,5-dimethyl-2-phenyl-6H-benzo[h]quinazolin-4-one
SMILESCC1(C)Cc2ccccc2-c2nc(-c3ccccc3)n(CCO)c(=O)c21
InChIInChI=1S/C22H22N2O2/c1-22(2)14-16-10-6-7-11-17(16)19-18(22)21(26)24(12-13-25)20(23-19)15-8-4-3-5-9-15/h3-11,25H,12-14H2,1-2H3
InChIKeyJAOGVVAHDSDMST-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.40
Rot. Bonds3

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

3-(2-hydroxyethyl)-5,5-dimethyl-2-phenyl-6H-benzo[h]quinazolin-4-one (PubChem CID 719834) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-5,5-dimethyl-2-phenyl-6H-benzo[h]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-5,5-dimethyl-2-phenyl-6H-benzo[h]quinazolin-4-one
PubChem CID719834
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name3-(2-hydroxyethyl)-5,5-dimethyl-2-phenyl-6H-benzo[h]quinazolin-4-one
SMILESCC1(C)Cc2ccccc2-c2nc(-c3ccccc3)n(CCO)c(=O)c21
InChIInChI=1S/C22H22N2O2/c1-22(2)14-16-10-6-7-11-17(16)19-18(22)21(26)24(12-13-25)20(23-19)15-8-4-3-5-9-15/h3-11,25H,12-14H2,1-2H3
InChIKeyJAOGVVAHDSDMST-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-5,5-dimethyl-2-phenyl-6H-benzo[h]quinazolin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-5,5-dimethyl-2-phenyl-6H-benzo[h]quinazolin-4-one (CID 719834) is 3-(2-hydroxyethyl)-5,5-dimethyl-2-phenyl-6H-benzo[h]quinazolin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-5,5-dimethyl-2-phenyl-6H-benzo[h]quinazolin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-5,5-dimethyl-2-phenyl-6H-benzo[h]quinazolin-4-one is CC1(C)Cc2ccccc2-c2nc(-c3ccccc3)n(CCO)c(=O)c21.
What is the InChIKey of 3-(2-hydroxyethyl)-5,5-dimethyl-2-phenyl-6H-benzo[h]quinazolin-4-one?
The InChIKey is JAOGVVAHDSDMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-22(2)14-16-10-6-7-11-17(16)19-18(22)21(26)24(12-13-25)20(23-19)15-8-4-3-5-9-15/h3-11,25H,12-14H2,1-2H3.
What are the key properties of 3-(2-hydroxyethyl)-5,5-dimethyl-2-phenyl-6H-benzo[h]quinazolin-4-one?
3-(2-hydroxyethyl)-5,5-dimethyl-2-phenyl-6H-benzo[h]quinazolin-4-one has a molecular weight of 346.43 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-5,5-dimethyl-2-phenyl-6H-benzo[h]quinazolin-4-one is sourced from PubChem (CID 719834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).