2-[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-3-fluorophenyl]-N-hydroxyacetamide

C25H22FN3O4 — CID 150400107

IUPAC2-[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-3-fluorophenyl]-N-hydroxyacetamide
SMILESO=C(Cc1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)c(F)c1)NO
InChIInChI=1S/C25H22FN3O4/c26-21-14-18(15-23(30)27-33)10-11-19(21)16-29-22-9-5-4-8-20(22)24(31)28(25(29)32)13-12-17-6-2-1-3-7-17/h1-11,14,33H,12-13,15-16H2,(H,27,30)
InChIKeyHDPCDKAVYCZYIY-UHFFFAOYSA-N
MW447.47 g/mol
LogP2.64
Rot. Bonds7

About 2-[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-3-fluorophenyl]-N-hydroxyacetamide

2-[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-3-fluorophenyl]-N-hydroxyacetamide (PubChem CID 150400107) has the molecular formula C25H22FN3O4 and a molecular weight of 447.47 g/mol. Its IUPAC name is 2-[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-3-fluorophenyl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-3-fluorophenyl]-N-hydroxyacetamide
PubChem CID150400107
Molecular FormulaC25H22FN3O4
Molecular Weight447.47 g/mol
Exact Mass447.16
IUPAC Name2-[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-3-fluorophenyl]-N-hydroxyacetamide
SMILESO=C(Cc1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)c(F)c1)NO
InChIInChI=1S/C25H22FN3O4/c26-21-14-18(15-23(30)27-33)10-11-19(21)16-29-22-9-5-4-8-20(22)24(31)28(25(29)32)13-12-17-6-2-1-3-7-17/h1-11,14,33H,12-13,15-16H2,(H,27,30)
InChIKeyHDPCDKAVYCZYIY-UHFFFAOYSA-N
XLogP2.64
TPSA93.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 138377601
4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 151543423
2-[4-[[3-[2-(4-chlorophenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 175872732
[[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoyl]amino] acetate
CID 150377119
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide
CID 51046638
4-[[3-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 151448807
N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide
CID 6502350
1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione
CID 53370489
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 22429620
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-methylbutyl)acetamide
CID 51046610
N-(3-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide
CID 6502365
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(3-phenylpropyl)acetamide
CID 46860998

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-3-fluorophenyl]-N-hydroxyacetamide?
The IUPAC name of 2-[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-3-fluorophenyl]-N-hydroxyacetamide (CID 150400107) is 2-[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-3-fluorophenyl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-3-fluorophenyl]-N-hydroxyacetamide?
The canonical SMILES for 2-[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-3-fluorophenyl]-N-hydroxyacetamide is O=C(Cc1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)c(F)c1)NO.
What is the InChIKey of 2-[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-3-fluorophenyl]-N-hydroxyacetamide?
The InChIKey is HDPCDKAVYCZYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O4/c26-21-14-18(15-23(30)27-33)10-11-19(21)16-29-22-9-5-4-8-20(22)24(31)28(25(29)32)13-12-17-6-2-1-3-7-17/h1-11,14,33H,12-13,15-16H2,(H,27,30).
What are the key properties of 2-[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-3-fluorophenyl]-N-hydroxyacetamide?
2-[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-3-fluorophenyl]-N-hydroxyacetamide has a molecular weight of 447.47 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-3-fluorophenyl]-N-hydroxyacetamide is sourced from PubChem (CID 150400107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).