2-(4-hydroxyphenyl)-7,7-dimethyl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one

C28H28N2O2 — CID 162675034

IUPAC2-(4-hydroxyphenyl)-7,7-dimethyl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(c1ccc(O)cc1)N(c1ccccc1)C2
InChIInChI=1S/C28H28N2O2/c1-28(2)17-25-24(26(32)18-28)19-29(21-9-5-3-6-10-21)27(20-13-15-23(31)16-14-20)30(25)22-11-7-4-8-12-22/h3-16,27,31H,17-19H2,1-2H3
InChIKeyWOWYCKJKRWOLSQ-UHFFFAOYSA-N
MW424.54 g/mol
LogP6.06
Rot. Bonds3

About 2-(4-hydroxyphenyl)-7,7-dimethyl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one

2-(4-hydroxyphenyl)-7,7-dimethyl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one (PubChem CID 162675034) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-7,7-dimethyl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-7,7-dimethyl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one
PubChem CID162675034
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC Name2-(4-hydroxyphenyl)-7,7-dimethyl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(c1ccc(O)cc1)N(c1ccccc1)C2
InChIInChI=1S/C28H28N2O2/c1-28(2)17-25-24(26(32)18-28)19-29(21-9-5-3-6-10-21)27(20-13-15-23(31)16-14-20)30(25)22-11-7-4-8-12-22/h3-16,27,31H,17-19H2,1-2H3
InChIKeyWOWYCKJKRWOLSQ-UHFFFAOYSA-N
XLogP6.06
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-7,7-dimethyl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one?
The IUPAC name of 2-(4-hydroxyphenyl)-7,7-dimethyl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one (CID 162675034) is 2-(4-hydroxyphenyl)-7,7-dimethyl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-7,7-dimethyl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-7,7-dimethyl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one is CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(c1ccc(O)cc1)N(c1ccccc1)C2.
What is the InChIKey of 2-(4-hydroxyphenyl)-7,7-dimethyl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one?
The InChIKey is WOWYCKJKRWOLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2/c1-28(2)17-25-24(26(32)18-28)19-29(21-9-5-3-6-10-21)27(20-13-15-23(31)16-14-20)30(25)22-11-7-4-8-12-22/h3-16,27,31H,17-19H2,1-2H3.
What are the key properties of 2-(4-hydroxyphenyl)-7,7-dimethyl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one?
2-(4-hydroxyphenyl)-7,7-dimethyl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one has a molecular weight of 424.54 g/mol, XLogP of 6.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-7,7-dimethyl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one is sourced from PubChem (CID 162675034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).