4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide

C24H20FN3O4 — CID 151543423

IUPAC4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3cc(F)ccc32)cc1
InChIInChI=1S/C24H20FN3O4/c25-19-10-11-21-20(14-19)23(30)27(13-12-16-4-2-1-3-5-16)24(31)28(21)15-17-6-8-18(9-7-17)22(29)26-32/h1-11,14,32H,12-13,15H2,(H,26,29)
InChIKeyPYYJNATZXUGPIJ-UHFFFAOYSA-N
MW433.44 g/mol
LogP2.71
Rot. Bonds6

About 4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide

4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 151543423) has the molecular formula C24H20FN3O4 and a molecular weight of 433.44 g/mol. Its IUPAC name is 4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide
PubChem CID151543423
Molecular FormulaC24H20FN3O4
Molecular Weight433.44 g/mol
Exact Mass433.14
IUPAC Name4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3cc(F)ccc32)cc1
InChIInChI=1S/C24H20FN3O4/c25-19-10-11-21-20(14-19)23(30)27(13-12-16-4-2-1-3-5-16)24(31)28(21)15-17-6-8-18(9-7-17)22(29)26-32/h1-11,14,32H,12-13,15H2,(H,26,29)
InChIKeyPYYJNATZXUGPIJ-UHFFFAOYSA-N
XLogP2.71
TPSA93.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 52.71
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-[[3-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 151448807
7-fluoro-3-(2-phenylethyl)-1-[[4-(2-phenylmethoxyacetyl)phenyl]methyl]quinazoline-2,4-dione
CID 163978298
ethyl 4-[[7-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoate
CID 153408397
4-[[3-[2-(3-chloro-4-methoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 151340752
[[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoyl]amino] acetate
CID 150377119
2-[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-3-fluorophenyl]-N-hydroxyacetamide
CID 150400107
4-[[7-chloro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-phenylmethoxybenzamide
CID 153408409
[[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoyl]amino] 2-amino-3-methylbutanoate
CID 154629217
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] 2-amino-3-methylbutanoate;2,2,2-trifluoroacetic acid
CID 175692404
7-fluoro-3-[2-(4-fluorophenyl)ethyl]-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione
CID 163995259

Frequently Asked Questions

What is the IUPAC name of 4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide (CID 151543423) is 4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3cc(F)ccc32)cc1.
What is the InChIKey of 4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is PYYJNATZXUGPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4/c25-19-10-11-21-20(14-19)23(30)27(13-12-16-4-2-1-3-5-16)24(31)28(21)15-17-6-8-18(9-7-17)22(29)26-32/h1-11,14,32H,12-13,15H2,(H,26,29).
What are the key properties of 4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide?
4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 433.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 151543423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).