N-hydroxy-4-[[7-hydroxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide

C24H21N3O5 — CID 150533939

IUPACN-hydroxy-4-[[7-hydroxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccc(O)cc32)cc1
InChIInChI=1S/C24H21N3O5/c28-19-10-11-20-21(14-19)27(15-17-6-8-18(9-7-17)22(29)25-32)24(31)26(23(20)30)13-12-16-4-2-1-3-5-16/h1-11,14,28,32H,12-13,15H2,(H,25,29)
InChIKeyIEKXZXBEZOPWQF-UHFFFAOYSA-N
MW431.45 g/mol
LogP2.28
Rot. Bonds6

About N-hydroxy-4-[[7-hydroxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide

N-hydroxy-4-[[7-hydroxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide (PubChem CID 150533939) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is N-hydroxy-4-[[7-hydroxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[7-hydroxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide
PubChem CID150533939
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC NameN-hydroxy-4-[[7-hydroxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccc(O)cc32)cc1
InChIInChI=1S/C24H21N3O5/c28-19-10-11-20-21(14-19)27(15-17-6-8-18(9-7-17)22(29)25-32)24(31)26(23(20)30)13-12-16-4-2-1-3-5-16/h1-11,14,28,32H,12-13,15H2,(H,25,29)
InChIKeyIEKXZXBEZOPWQF-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-[[7-hydroxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-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-[[7-hydroxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[7-hydroxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide (CID 150533939) is N-hydroxy-4-[[7-hydroxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[7-hydroxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[7-hydroxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide is O=C(NO)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccc(O)cc32)cc1.
What is the InChIKey of N-hydroxy-4-[[7-hydroxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide?
The InChIKey is IEKXZXBEZOPWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c28-19-10-11-20-21(14-19)27(15-17-6-8-18(9-7-17)22(29)25-32)24(31)26(23(20)30)13-12-16-4-2-1-3-5-16/h1-11,14,28,32H,12-13,15H2,(H,25,29).
What are the key properties of N-hydroxy-4-[[7-hydroxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide?
N-hydroxy-4-[[7-hydroxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-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-[[7-hydroxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide is sourced from PubChem (CID 150533939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).