3-[[3-(fluoromethyl)phenyl]methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide

C17H14FN3O3 — CID 90260365

IUPAC3-[[3-(fluoromethyl)phenyl]methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide
SMILESO=C(NO)c1ccc2ncn(Cc3cccc(CF)c3)c(=O)c2c1
InChIInChI=1S/C17H14FN3O3/c18-8-11-2-1-3-12(6-11)9-21-10-19-15-5-4-13(16(22)20-24)7-14(15)17(21)23/h1-7,10,24H,8-9H2,(H,20,22)
InChIKeyGHXWPBBYDHBAFD-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.03
Rot. Bonds4

About 3-[[3-(fluoromethyl)phenyl]methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide

3-[[3-(fluoromethyl)phenyl]methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide (PubChem CID 90260365) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is 3-[[3-(fluoromethyl)phenyl]methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide.

Molecular Properties

Compound Name3-[[3-(fluoromethyl)phenyl]methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide
PubChem CID90260365
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name3-[[3-(fluoromethyl)phenyl]methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide
SMILESO=C(NO)c1ccc2ncn(Cc3cccc(CF)c3)c(=O)c2c1
InChIInChI=1S/C17H14FN3O3/c18-8-11-2-1-3-12(6-11)9-21-10-19-15-5-4-13(16(22)20-24)7-14(15)17(21)23/h1-7,10,24H,8-9H2,(H,20,22)
InChIKeyGHXWPBBYDHBAFD-UHFFFAOYSA-N
XLogP2.03
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[3-(fluoromethyl)phenyl]methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-4-oxo-3-[(3-phenylmethoxyphenyl)methyl]quinazoline-6-carboxamide
CID 118901622
N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide
CID 87413146
3-[(3-fluorophenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide
CID 87524252
N-hydroxy-3-[2-[3-(2-methylphenyl)phenyl]ethyl]-4-oxoquinazoline-6-carboxamide
CID 87413865
N-(furan-2-ylmethyl)-3-[(6-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
CID 47061690
7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one
CID 27076082
ethane;4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-4-oxoquinazolin-3-yl]methyl]benzoic acid
CID 142804202
6-(2-hydroxyacetyl)-3-[[3-(2-methylphenyl)phenyl]methyl]quinazolin-4-one
CID 158311258
6-(2-hydroxyacetyl)-3-[[3-(3-propan-2-ylphenyl)phenyl]methyl]quinazolin-4-one
CID 159750510
3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzohydrazide
CID 63577338
6-(2-hydroxyacetyl)-3-[[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one
CID 158378259
3-[2-(3-aminobut-2-enylideneamino)ethyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide
CID 173136981

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(fluoromethyl)phenyl]methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide?
The IUPAC name of 3-[[3-(fluoromethyl)phenyl]methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide (CID 90260365) is 3-[[3-(fluoromethyl)phenyl]methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide.
What is the SMILES notation for 3-[[3-(fluoromethyl)phenyl]methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide?
The canonical SMILES for 3-[[3-(fluoromethyl)phenyl]methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide is O=C(NO)c1ccc2ncn(Cc3cccc(CF)c3)c(=O)c2c1.
What is the InChIKey of 3-[[3-(fluoromethyl)phenyl]methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide?
The InChIKey is GHXWPBBYDHBAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c18-8-11-2-1-3-12(6-11)9-21-10-19-15-5-4-13(16(22)20-24)7-14(15)17(21)23/h1-7,10,24H,8-9H2,(H,20,22).
What are the key properties of 3-[[3-(fluoromethyl)phenyl]methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide?
3-[[3-(fluoromethyl)phenyl]methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide has a molecular weight of 327.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(fluoromethyl)phenyl]methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide is sourced from PubChem (CID 90260365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).