4-butoxy-N-[2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide

C25H25N3O4 — CID 11647668

IUPAC4-butoxy-N-[2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
SMILESCCCCOc1ccc(C(=O)NN2C(=O)c3ccccc3NC2c2ccc(O)cc2)cc1
InChIInChI=1S/C25H25N3O4/c1-2-3-16-32-20-14-10-18(11-15-20)24(30)27-28-23(17-8-12-19(29)13-9-17)26-22-7-5-4-6-21(22)25(28)31/h4-15,23,26,29H,2-3,16H2,1H3,(H,27,30)
InChIKeyURGRPHVKOQXJLZ-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.48
Rot. Bonds7

About 4-butoxy-N-[2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide

4-butoxy-N-[2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide (PubChem CID 11647668) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 4-butoxy-N-[2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
PubChem CID11647668
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name4-butoxy-N-[2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
SMILESCCCCOc1ccc(C(=O)NN2C(=O)c3ccccc3NC2c2ccc(O)cc2)cc1
InChIInChI=1S/C25H25N3O4/c1-2-3-16-32-20-14-10-18(11-15-20)24(30)27-28-23(17-8-12-19(29)13-9-17)26-22-7-5-4-6-21(22)25(28)31/h4-15,23,26,29H,2-3,16H2,1H3,(H,27,30)
InChIKeyURGRPHVKOQXJLZ-UHFFFAOYSA-N
XLogP4.48
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-butoxy-N-[2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide 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 4-butoxy-N-[2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide?
The IUPAC name of 4-butoxy-N-[2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide (CID 11647668) is 4-butoxy-N-[2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide is CCCCOc1ccc(C(=O)NN2C(=O)c3ccccc3NC2c2ccc(O)cc2)cc1.
What is the InChIKey of 4-butoxy-N-[2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide?
The InChIKey is URGRPHVKOQXJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-2-3-16-32-20-14-10-18(11-15-20)24(30)27-28-23(17-8-12-19(29)13-9-17)26-22-7-5-4-6-21(22)25(28)31/h4-15,23,26,29H,2-3,16H2,1H3,(H,27,30).
What are the key properties of 4-butoxy-N-[2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide?
4-butoxy-N-[2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide has a molecular weight of 431.49 g/mol, XLogP of 4.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide is sourced from PubChem (CID 11647668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).