3-benzyl-2-butyl-2-phenyl-1H-quinazolin-4-one

C25H26N2O — CID 54779372

IUPAC3-benzyl-2-butyl-2-phenyl-1H-quinazolin-4-one
SMILESCCCCC1(c2ccccc2)Nc2ccccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C25H26N2O/c1-2-3-18-25(21-14-8-5-9-15-21)26-23-17-11-10-16-22(23)24(28)27(25)19-20-12-6-4-7-13-20/h4-17,26H,2-3,18-19H2,1H3
InChIKeyLRANIBBZAHVVHQ-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.80
Rot. Bonds6

About 3-benzyl-2-butyl-2-phenyl-1H-quinazolin-4-one

3-benzyl-2-butyl-2-phenyl-1H-quinazolin-4-one (PubChem CID 54779372) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-benzyl-2-butyl-2-phenyl-1H-quinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-butyl-2-phenyl-1H-quinazolin-4-one
PubChem CID54779372
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name3-benzyl-2-butyl-2-phenyl-1H-quinazolin-4-one
SMILESCCCCC1(c2ccccc2)Nc2ccccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C25H26N2O/c1-2-3-18-25(21-14-8-5-9-15-21)26-23-17-11-10-16-22(23)24(28)27(25)19-20-12-6-4-7-13-20/h4-17,26H,2-3,18-19H2,1H3
InChIKeyLRANIBBZAHVVHQ-UHFFFAOYSA-N
XLogP5.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-butyl-2-phenyl-1H-quinazolin-4-one?
The IUPAC name of 3-benzyl-2-butyl-2-phenyl-1H-quinazolin-4-one (CID 54779372) is 3-benzyl-2-butyl-2-phenyl-1H-quinazolin-4-one.
What is the SMILES notation for 3-benzyl-2-butyl-2-phenyl-1H-quinazolin-4-one?
The canonical SMILES for 3-benzyl-2-butyl-2-phenyl-1H-quinazolin-4-one is CCCCC1(c2ccccc2)Nc2ccccc2C(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-butyl-2-phenyl-1H-quinazolin-4-one?
The InChIKey is LRANIBBZAHVVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-2-3-18-25(21-14-8-5-9-15-21)26-23-17-11-10-16-22(23)24(28)27(25)19-20-12-6-4-7-13-20/h4-17,26H,2-3,18-19H2,1H3.
What are the key properties of 3-benzyl-2-butyl-2-phenyl-1H-quinazolin-4-one?
3-benzyl-2-butyl-2-phenyl-1H-quinazolin-4-one has a molecular weight of 370.50 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-butyl-2-phenyl-1H-quinazolin-4-one is sourced from PubChem (CID 54779372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).