3-benzyl-1-(2-methoxyethyl)-7-phenyl-4,6,7,8-tetrahydro-2H-quinazolin-5-one

C24H28N2O2 — CID 4886379

IUPAC3-benzyl-1-(2-methoxyethyl)-7-phenyl-4,6,7,8-tetrahydro-2H-quinazolin-5-one
SMILESCOCCN1CN(Cc2ccccc2)CC2=C1CC(c1ccccc1)CC2=O
InChIInChI=1S/C24H28N2O2/c1-28-13-12-26-18-25(16-19-8-4-2-5-9-19)17-22-23(26)14-21(15-24(22)27)20-10-6-3-7-11-20/h2-11,21H,12-18H2,1H3
InChIKeyKPSBAPXTHJHMBE-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.81
Rot. Bonds6

About 3-benzyl-1-(2-methoxyethyl)-7-phenyl-4,6,7,8-tetrahydro-2H-quinazolin-5-one

3-benzyl-1-(2-methoxyethyl)-7-phenyl-4,6,7,8-tetrahydro-2H-quinazolin-5-one (PubChem CID 4886379) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-benzyl-1-(2-methoxyethyl)-7-phenyl-4,6,7,8-tetrahydro-2H-quinazolin-5-one.

Molecular Properties

Compound Name3-benzyl-1-(2-methoxyethyl)-7-phenyl-4,6,7,8-tetrahydro-2H-quinazolin-5-one
PubChem CID4886379
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name3-benzyl-1-(2-methoxyethyl)-7-phenyl-4,6,7,8-tetrahydro-2H-quinazolin-5-one
SMILESCOCCN1CN(Cc2ccccc2)CC2=C1CC(c1ccccc1)CC2=O
InChIInChI=1S/C24H28N2O2/c1-28-13-12-26-18-25(16-19-8-4-2-5-9-19)17-22-23(26)14-21(15-24(22)27)20-10-6-3-7-11-20/h2-11,21H,12-18H2,1H3
InChIKeyKPSBAPXTHJHMBE-UHFFFAOYSA-N
XLogP3.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(2-methoxyethyl)-7-phenyl-4,6,7,8-tetrahydro-2H-quinazolin-5-one?
The IUPAC name of 3-benzyl-1-(2-methoxyethyl)-7-phenyl-4,6,7,8-tetrahydro-2H-quinazolin-5-one (CID 4886379) is 3-benzyl-1-(2-methoxyethyl)-7-phenyl-4,6,7,8-tetrahydro-2H-quinazolin-5-one.
What is the SMILES notation for 3-benzyl-1-(2-methoxyethyl)-7-phenyl-4,6,7,8-tetrahydro-2H-quinazolin-5-one?
The canonical SMILES for 3-benzyl-1-(2-methoxyethyl)-7-phenyl-4,6,7,8-tetrahydro-2H-quinazolin-5-one is COCCN1CN(Cc2ccccc2)CC2=C1CC(c1ccccc1)CC2=O.
What is the InChIKey of 3-benzyl-1-(2-methoxyethyl)-7-phenyl-4,6,7,8-tetrahydro-2H-quinazolin-5-one?
The InChIKey is KPSBAPXTHJHMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-28-13-12-26-18-25(16-19-8-4-2-5-9-19)17-22-23(26)14-21(15-24(22)27)20-10-6-3-7-11-20/h2-11,21H,12-18H2,1H3.
What are the key properties of 3-benzyl-1-(2-methoxyethyl)-7-phenyl-4,6,7,8-tetrahydro-2H-quinazolin-5-one?
3-benzyl-1-(2-methoxyethyl)-7-phenyl-4,6,7,8-tetrahydro-2H-quinazolin-5-one has a molecular weight of 376.50 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(2-methoxyethyl)-7-phenyl-4,6,7,8-tetrahydro-2H-quinazolin-5-one is sourced from PubChem (CID 4886379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).