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

C31H34N2O — CID 162664049

IUPAC7,7-dimethyl-1,3-diphenyl-2-(4-propan-2-ylphenyl)-2,4,6,8-tetrahydroquinazolin-5-one
SMILESCC(C)c1ccc(C2N(c3ccccc3)CC3=C(CC(C)(C)CC3=O)N2c2ccccc2)cc1
InChIInChI=1S/C31H34N2O/c1-22(2)23-15-17-24(18-16-23)30-32(25-11-7-5-8-12-25)21-27-28(19-31(3,4)20-29(27)34)33(30)26-13-9-6-10-14-26/h5-18,22,30H,19-21H2,1-4H3
InChIKeyLGZJVGUDSPHQJP-UHFFFAOYSA-N
MW450.63 g/mol
LogP7.48
Rot. Bonds4

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

7,7-dimethyl-1,3-diphenyl-2-(4-propan-2-ylphenyl)-2,4,6,8-tetrahydroquinazolin-5-one (PubChem CID 162664049) has the molecular formula C31H34N2O and a molecular weight of 450.63 g/mol. Its IUPAC name is 7,7-dimethyl-1,3-diphenyl-2-(4-propan-2-ylphenyl)-2,4,6,8-tetrahydroquinazolin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-1,3-diphenyl-2-(4-propan-2-ylphenyl)-2,4,6,8-tetrahydroquinazolin-5-one
PubChem CID162664049
Molecular FormulaC31H34N2O
Molecular Weight450.63 g/mol
Exact Mass450.27
IUPAC Name7,7-dimethyl-1,3-diphenyl-2-(4-propan-2-ylphenyl)-2,4,6,8-tetrahydroquinazolin-5-one
SMILESCC(C)c1ccc(C2N(c3ccccc3)CC3=C(CC(C)(C)CC3=O)N2c2ccccc2)cc1
InChIInChI=1S/C31H34N2O/c1-22(2)23-15-17-24(18-16-23)30-32(25-11-7-5-8-12-25)21-27-28(19-31(3,4)20-29(27)34)33(30)26-13-9-6-10-14-26/h5-18,22,30H,19-21H2,1-4H3
InChIKeyLGZJVGUDSPHQJP-UHFFFAOYSA-N
XLogP7.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1,3-diphenyl-2-(4-propan-2-ylphenyl)-2,4,6,8-tetrahydroquinazolin-5-one?
The IUPAC name of 7,7-dimethyl-1,3-diphenyl-2-(4-propan-2-ylphenyl)-2,4,6,8-tetrahydroquinazolin-5-one (CID 162664049) is 7,7-dimethyl-1,3-diphenyl-2-(4-propan-2-ylphenyl)-2,4,6,8-tetrahydroquinazolin-5-one.
What is the SMILES notation for 7,7-dimethyl-1,3-diphenyl-2-(4-propan-2-ylphenyl)-2,4,6,8-tetrahydroquinazolin-5-one?
The canonical SMILES for 7,7-dimethyl-1,3-diphenyl-2-(4-propan-2-ylphenyl)-2,4,6,8-tetrahydroquinazolin-5-one is CC(C)c1ccc(C2N(c3ccccc3)CC3=C(CC(C)(C)CC3=O)N2c2ccccc2)cc1.
What is the InChIKey of 7,7-dimethyl-1,3-diphenyl-2-(4-propan-2-ylphenyl)-2,4,6,8-tetrahydroquinazolin-5-one?
The InChIKey is LGZJVGUDSPHQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O/c1-22(2)23-15-17-24(18-16-23)30-32(25-11-7-5-8-12-25)21-27-28(19-31(3,4)20-29(27)34)33(30)26-13-9-6-10-14-26/h5-18,22,30H,19-21H2,1-4H3.
What are the key properties of 7,7-dimethyl-1,3-diphenyl-2-(4-propan-2-ylphenyl)-2,4,6,8-tetrahydroquinazolin-5-one?
7,7-dimethyl-1,3-diphenyl-2-(4-propan-2-ylphenyl)-2,4,6,8-tetrahydroquinazolin-5-one has a molecular weight of 450.63 g/mol, XLogP of 7.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1,3-diphenyl-2-(4-propan-2-ylphenyl)-2,4,6,8-tetrahydroquinazolin-5-one is sourced from PubChem (CID 162664049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).