N-hydroxy-4-[[3-[2-(4-hydroxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]benzamide

C24H21N3O5 — CID 151532669

IUPACN-hydroxy-4-[[3-[2-(4-hydroxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2c(=O)n(CCc3ccc(O)cc3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H21N3O5/c28-19-11-7-16(8-12-19)13-14-26-23(30)20-3-1-2-4-21(20)27(24(26)31)15-17-5-9-18(10-6-17)22(29)25-32/h1-12,28,32H,13-15H2,(H,25,29)
InChIKeyPWUOLJLDIZJJPB-UHFFFAOYSA-N
MW431.45 g/mol
LogP2.28
Rot. Bonds6

About N-hydroxy-4-[[3-[2-(4-hydroxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]benzamide

N-hydroxy-4-[[3-[2-(4-hydroxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]benzamide (PubChem CID 151532669) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is N-hydroxy-4-[[3-[2-(4-hydroxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[3-[2-(4-hydroxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]benzamide
PubChem CID151532669
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC NameN-hydroxy-4-[[3-[2-(4-hydroxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2c(=O)n(CCc3ccc(O)cc3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H21N3O5/c28-19-11-7-16(8-12-19)13-14-26-23(30)20-3-1-2-4-21(20)27(24(26)31)15-17-5-9-18(10-6-17)22(29)25-32/h1-12,28,32H,13-15H2,(H,25,29)
InChIKeyPWUOLJLDIZJJPB-UHFFFAOYSA-N
XLogP2.28
TPSA113.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-4-[[3-[2-(4-hydroxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]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 N-hydroxy-4-[[3-[2-(4-hydroxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[3-[2-(4-hydroxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]benzamide (CID 151532669) is N-hydroxy-4-[[3-[2-(4-hydroxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[3-[2-(4-hydroxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[3-[2-(4-hydroxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]benzamide is O=C(NO)c1ccc(Cn2c(=O)n(CCc3ccc(O)cc3)c(=O)c3ccccc32)cc1.
What is the InChIKey of N-hydroxy-4-[[3-[2-(4-hydroxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]benzamide?
The InChIKey is PWUOLJLDIZJJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c28-19-11-7-16(8-12-19)13-14-26-23(30)20-3-1-2-4-21(20)27(24(26)31)15-17-5-9-18(10-6-17)22(29)25-32/h1-12,28,32H,13-15H2,(H,25,29).
What are the key properties of N-hydroxy-4-[[3-[2-(4-hydroxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]benzamide?
N-hydroxy-4-[[3-[2-(4-hydroxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]benzamide has a molecular weight of 431.45 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[3-[2-(4-hydroxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]benzamide is sourced from PubChem (CID 151532669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).