2-(2-butoxyphenyl)-3-butyl-1,2-dihydroquinazolin-4-one

C22H28N2O2 — CID 54778916

IUPAC2-(2-butoxyphenyl)-3-butyl-1,2-dihydroquinazolin-4-one
SMILESCCCCOc1ccccc1C1Nc2ccccc2C(=O)N1CCCC
InChIInChI=1S/C22H28N2O2/c1-3-5-15-24-21(23-19-13-9-7-11-17(19)22(24)25)18-12-8-10-14-20(18)26-16-6-4-2/h7-14,21,23H,3-6,15-16H2,1-2H3
InChIKeyYJPSCWCKWHXBCF-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.23
Rot. Bonds8

About 2-(2-butoxyphenyl)-3-butyl-1,2-dihydroquinazolin-4-one

2-(2-butoxyphenyl)-3-butyl-1,2-dihydroquinazolin-4-one (PubChem CID 54778916) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(2-butoxyphenyl)-3-butyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(2-butoxyphenyl)-3-butyl-1,2-dihydroquinazolin-4-one
PubChem CID54778916
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(2-butoxyphenyl)-3-butyl-1,2-dihydroquinazolin-4-one
SMILESCCCCOc1ccccc1C1Nc2ccccc2C(=O)N1CCCC
InChIInChI=1S/C22H28N2O2/c1-3-5-15-24-21(23-19-13-9-7-11-17(19)22(24)25)18-12-8-10-14-20(18)26-16-6-4-2/h7-14,21,23H,3-6,15-16H2,1-2H3
InChIKeyYJPSCWCKWHXBCF-UHFFFAOYSA-N
XLogP5.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-butoxyphenyl)-3-butyl-1,2-dihydroquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyphenyl)-3-butyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(2-butoxyphenyl)-3-butyl-1,2-dihydroquinazolin-4-one (CID 54778916) is 2-(2-butoxyphenyl)-3-butyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(2-butoxyphenyl)-3-butyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(2-butoxyphenyl)-3-butyl-1,2-dihydroquinazolin-4-one is CCCCOc1ccccc1C1Nc2ccccc2C(=O)N1CCCC.
What is the InChIKey of 2-(2-butoxyphenyl)-3-butyl-1,2-dihydroquinazolin-4-one?
The InChIKey is YJPSCWCKWHXBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-3-5-15-24-21(23-19-13-9-7-11-17(19)22(24)25)18-12-8-10-14-20(18)26-16-6-4-2/h7-14,21,23H,3-6,15-16H2,1-2H3.
What are the key properties of 2-(2-butoxyphenyl)-3-butyl-1,2-dihydroquinazolin-4-one?
2-(2-butoxyphenyl)-3-butyl-1,2-dihydroquinazolin-4-one has a molecular weight of 352.48 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyphenyl)-3-butyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54778916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).