4-methyl-7-(2-methylphenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one

C24H25N3O — CID 16652857

IUPAC4-methyl-7-(2-methylphenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccccc1C1CC(=O)c2c(C)nc(NCCc3ccccc3)nc2C1
InChIInChI=1S/C24H25N3O/c1-16-8-6-7-11-20(16)19-14-21-23(22(28)15-19)17(2)26-24(27-21)25-13-12-18-9-4-3-5-10-18/h3-11,19H,12-15H2,1-2H3,(H,25,26,27)
InChIKeyFPVHNXHYGKCXLD-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.66
Rot. Bonds5

About 4-methyl-7-(2-methylphenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one

4-methyl-7-(2-methylphenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 16652857) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-methyl-7-(2-methylphenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name4-methyl-7-(2-methylphenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID16652857
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name4-methyl-7-(2-methylphenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccccc1C1CC(=O)c2c(C)nc(NCCc3ccccc3)nc2C1
InChIInChI=1S/C24H25N3O/c1-16-8-6-7-11-20(16)19-14-21-23(22(28)15-19)17(2)26-24(27-21)25-13-12-18-9-4-3-5-10-18/h3-11,19H,12-15H2,1-2H3,(H,25,26,27)
InChIKeyFPVHNXHYGKCXLD-UHFFFAOYSA-N
XLogP4.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(2-methylphenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 4-methyl-7-(2-methylphenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one (CID 16652857) is 4-methyl-7-(2-methylphenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 4-methyl-7-(2-methylphenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 4-methyl-7-(2-methylphenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one is Cc1ccccc1C1CC(=O)c2c(C)nc(NCCc3ccccc3)nc2C1.
What is the InChIKey of 4-methyl-7-(2-methylphenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is FPVHNXHYGKCXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-16-8-6-7-11-20(16)19-14-21-23(22(28)15-19)17(2)26-24(27-21)25-13-12-18-9-4-3-5-10-18/h3-11,19H,12-15H2,1-2H3,(H,25,26,27).
What are the key properties of 4-methyl-7-(2-methylphenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one?
4-methyl-7-(2-methylphenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 371.48 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(2-methylphenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 16652857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).