7,7-dimethyl-2-naphthalen-1-yl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one

C32H30N2O — CID 162673730

About 7,7-dimethyl-2-naphthalen-1-yl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one

7,7-dimethyl-2-naphthalen-1-yl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one (PubChem CID 162673730) has the molecular formula C32H30N2O and a molecular weight of 458.61 g/mol. Its IUPAC name is 7,7-dimethyl-2-naphthalen-1-yl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one.

Molecular Properties

• Compound Name: 7,7-dimethyl-2-naphthalen-1-yl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one
• PubChem CID: 162673730
• Molecular Formula: C32H30N2O
• Molecular Weight: 458.61 g/mol
• Exact Mass: 458.24
• IUPAC Name: 7,7-dimethyl-2-naphthalen-1-yl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one
• SMILES: CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(c1cccc3ccccc13)N(c1ccccc1)C2
• InChI: InChI=1S/C32H30N2O/c1-32(2)20-29-28(30(35)21-32)22-33(24-14-5-3-6-15-24)31(34(29)25-16-7-4-8-17-25)27-19-11-13-23-12-9-10-18-26(23)27/h3-19,31H,20-22H2,1-2H3
• InChIKey: LUYLIZBOGLUZOW-UHFFFAOYSA-N
• XLogP: 7.51
• TPSA: 23.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.61
LogP ≤ 5	7.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-naphthalen-1-yl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one?

The IUPAC name of 7,7-dimethyl-2-naphthalen-1-yl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one (CID 162673730) is 7,7-dimethyl-2-naphthalen-1-yl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one.

What is the SMILES notation for 7,7-dimethyl-2-naphthalen-1-yl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one?

The canonical SMILES for 7,7-dimethyl-2-naphthalen-1-yl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one is CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(c1cccc3ccccc13)N(c1ccccc1)C2.

What is the InChIKey of 7,7-dimethyl-2-naphthalen-1-yl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one?

The InChIKey is LUYLIZBOGLUZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O/c1-32(2)20-29-28(30(35)21-32)22-33(24-14-5-3-6-15-24)31(34(29)25-16-7-4-8-17-25)27-19-11-13-23-12-9-10-18-26(23)27/h3-19,31H,20-22H2,1-2H3.

What are the key properties of 7,7-dimethyl-2-naphthalen-1-yl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one?

7,7-dimethyl-2-naphthalen-1-yl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one has a molecular weight of 458.61 g/mol, XLogP of 7.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7-dimethyl-2-naphthalen-1-yl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one is sourced from PubChem (CID 162673730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).