2-(2-methoxyphenyl)-5,5-dimethyl-3-(2-phenylethyl)-7,8-dihydro-6H-quinazolin-4-one

C25H28N2O2 — CID 68933564

IUPAC2-(2-methoxyphenyl)-5,5-dimethyl-3-(2-phenylethyl)-7,8-dihydro-6H-quinazolin-4-one
SMILESCOc1ccccc1-c1nc2c(c(=O)n1CCc1ccccc1)C(C)(C)CCC2
InChIInChI=1S/C25H28N2O2/c1-25(2)16-9-13-20-22(25)24(28)27(17-15-18-10-5-4-6-11-18)23(26-20)19-12-7-8-14-21(19)29-3/h4-8,10-12,14H,9,13,15-17H2,1-3H3
InChIKeyWIKDRZIRGQRVNS-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.78
Rot. Bonds5

About 2-(2-methoxyphenyl)-5,5-dimethyl-3-(2-phenylethyl)-7,8-dihydro-6H-quinazolin-4-one

2-(2-methoxyphenyl)-5,5-dimethyl-3-(2-phenylethyl)-7,8-dihydro-6H-quinazolin-4-one (PubChem CID 68933564) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5,5-dimethyl-3-(2-phenylethyl)-7,8-dihydro-6H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5,5-dimethyl-3-(2-phenylethyl)-7,8-dihydro-6H-quinazolin-4-one
PubChem CID68933564
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name2-(2-methoxyphenyl)-5,5-dimethyl-3-(2-phenylethyl)-7,8-dihydro-6H-quinazolin-4-one
SMILESCOc1ccccc1-c1nc2c(c(=O)n1CCc1ccccc1)C(C)(C)CCC2
InChIInChI=1S/C25H28N2O2/c1-25(2)16-9-13-20-22(25)24(28)27(17-15-18-10-5-4-6-11-18)23(26-20)19-12-7-8-14-21(19)29-3/h4-8,10-12,14H,9,13,15-17H2,1-3H3
InChIKeyWIKDRZIRGQRVNS-UHFFFAOYSA-N
XLogP4.78
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5,5-dimethyl-3-(2-phenylethyl)-7,8-dihydro-6H-quinazolin-4-one?
The IUPAC name of 2-(2-methoxyphenyl)-5,5-dimethyl-3-(2-phenylethyl)-7,8-dihydro-6H-quinazolin-4-one (CID 68933564) is 2-(2-methoxyphenyl)-5,5-dimethyl-3-(2-phenylethyl)-7,8-dihydro-6H-quinazolin-4-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-5,5-dimethyl-3-(2-phenylethyl)-7,8-dihydro-6H-quinazolin-4-one?
The canonical SMILES for 2-(2-methoxyphenyl)-5,5-dimethyl-3-(2-phenylethyl)-7,8-dihydro-6H-quinazolin-4-one is COc1ccccc1-c1nc2c(c(=O)n1CCc1ccccc1)C(C)(C)CCC2.
What is the InChIKey of 2-(2-methoxyphenyl)-5,5-dimethyl-3-(2-phenylethyl)-7,8-dihydro-6H-quinazolin-4-one?
The InChIKey is WIKDRZIRGQRVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-25(2)16-9-13-20-22(25)24(28)27(17-15-18-10-5-4-6-11-18)23(26-20)19-12-7-8-14-21(19)29-3/h4-8,10-12,14H,9,13,15-17H2,1-3H3.
What are the key properties of 2-(2-methoxyphenyl)-5,5-dimethyl-3-(2-phenylethyl)-7,8-dihydro-6H-quinazolin-4-one?
2-(2-methoxyphenyl)-5,5-dimethyl-3-(2-phenylethyl)-7,8-dihydro-6H-quinazolin-4-one has a molecular weight of 388.51 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5,5-dimethyl-3-(2-phenylethyl)-7,8-dihydro-6H-quinazolin-4-one is sourced from PubChem (CID 68933564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).