(2R)-4-[7-[4-(difluoromethyl)phenyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methylsulfonylbutanamide

C20H19F2N3O5S — CID 155129166

IUPAC(2R)-4-[7-[4-(difluoromethyl)phenyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methylsulfonylbutanamide
SMILESCS(=O)(=O)[C@H](CCn1cnc2cc(-c3ccc(C(F)F)cc3)ccc2c1=O)C(=O)NO
InChIInChI=1S/C20H19F2N3O5S/c1-31(29,30)17(19(26)24-28)8-9-25-11-23-16-10-14(6-7-15(16)20(25)27)12-2-4-13(5-3-12)18(21)22/h2-7,10-11,17-18,28H,8-9H2,1H3,(H,24,26)/t17-/m1/s1
InChIKeyWXWCQSAFJRTDQT-QGZVFWFLSA-N
MW451.45 g/mol
LogP2.31
Rot. Bonds7

About (2R)-4-[7-[4-(difluoromethyl)phenyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methylsulfonylbutanamide

(2R)-4-[7-[4-(difluoromethyl)phenyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methylsulfonylbutanamide (PubChem CID 155129166) has the molecular formula C20H19F2N3O5S and a molecular weight of 451.45 g/mol. Its IUPAC name is (2R)-4-[7-[4-(difluoromethyl)phenyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-4-[7-[4-(difluoromethyl)phenyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methylsulfonylbutanamide
PubChem CID155129166
Molecular FormulaC20H19F2N3O5S
Molecular Weight451.45 g/mol
Exact Mass451.10
IUPAC Name(2R)-4-[7-[4-(difluoromethyl)phenyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methylsulfonylbutanamide
SMILESCS(=O)(=O)[C@H](CCn1cnc2cc(-c3ccc(C(F)F)cc3)ccc2c1=O)C(=O)NO
InChIInChI=1S/C20H19F2N3O5S/c1-31(29,30)17(19(26)24-28)8-9-25-11-23-16-10-14(6-7-15(16)20(25)27)12-2-4-13(5-3-12)18(21)22/h2-7,10-11,17-18,28H,8-9H2,1H3,(H,24,26)/t17-/m1/s1
InChIKeyWXWCQSAFJRTDQT-QGZVFWFLSA-N
XLogP2.31
TPSA118.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
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 (2R)-4-[7-[4-(difluoromethyl)phenyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methylsulfonylbutanamide 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-[7-[4-[[methoxy(methyl)amino]methyl]phenyl]-4-oxoquinazolin-3-yl]-2-methylsulfonylbutanamide
CID 145326105
(2R)-4-[7-[4-(difluoromethyl)phenyl]-4-oxoquinazolin-3-yl]-N,2-dimethyl-2-methylsulfonylbutanamide
CID 159519288
7-[4-(difluoromethyl)phenyl]-3-hydroxyquinazolin-4-one
CID 129217644
(2R)-N-hydroxy-2-methyl-4-[7-(4-methylphenyl)-4-oxoquinazolin-3-yl]-2-methylsulfonylbutanamide
CID 129217577
N-hydroxy-2-methyl-2-methylsulfonyl-4-[7-[4-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]butanamide
CID 118513641
ethyl 2-methyl-2-methylsulfonyl-4-(4-oxo-7-phenylquinazolin-3-yl)butanoate
CID 140814384
7-(4-ethoxyphenyl)-3-[(3R)-5-hydroxy-3-methyl-3-methylsulfonyl-4-oxopentyl]quinazolin-4-one
CID 148650979
(2S)-4-[7-[4-[[cyclopropyl(methyl)amino]methyl]-3-fluorophenyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 160620475
(2R)-4-[7-(2-fluoro-4-methylphenyl)-4-oxoquinazolin-3-yl]-N,2-dimethyl-2-methylsulfonylbutanamide
CID 158972925
3-[(3R)-5-hydroxy-3-methyl-3-methylsulfonyl-4-oxopentyl]-7-[4-(2-morpholin-4-ylethyl)phenyl]quinazolin-4-one
CID 160862881
4-[7-[2-fluoro-4-[[methoxy(methyl)amino]methyl]phenyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 155129137
3-(7-hydroxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264509

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[7-[4-(difluoromethyl)phenyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-4-[7-[4-(difluoromethyl)phenyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methylsulfonylbutanamide (CID 155129166) is (2R)-4-[7-[4-(difluoromethyl)phenyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-4-[7-[4-(difluoromethyl)phenyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-4-[7-[4-(difluoromethyl)phenyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methylsulfonylbutanamide is CS(=O)(=O)[C@H](CCn1cnc2cc(-c3ccc(C(F)F)cc3)ccc2c1=O)C(=O)NO.
What is the InChIKey of (2R)-4-[7-[4-(difluoromethyl)phenyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methylsulfonylbutanamide?
The InChIKey is WXWCQSAFJRTDQT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19F2N3O5S/c1-31(29,30)17(19(26)24-28)8-9-25-11-23-16-10-14(6-7-15(16)20(25)27)12-2-4-13(5-3-12)18(21)22/h2-7,10-11,17-18,28H,8-9H2,1H3,(H,24,26)/t17-/m1/s1.
What are the key properties of (2R)-4-[7-[4-(difluoromethyl)phenyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methylsulfonylbutanamide?
(2R)-4-[7-[4-(difluoromethyl)phenyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methylsulfonylbutanamide has a molecular weight of 451.45 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[7-[4-(difluoromethyl)phenyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methylsulfonylbutanamide is sourced from PubChem (CID 155129166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).