N-hydroxy-4-[7-[4-[[methoxy(methyl)amino]methyl]phenyl]-4-oxoquinazolin-3-yl]-2-methylsulfonylbutanamide

C22H26N4O6S — CID 145326105

IUPACN-hydroxy-4-[7-[4-[[methoxy(methyl)amino]methyl]phenyl]-4-oxoquinazolin-3-yl]-2-methylsulfonylbutanamide
SMILESCON(C)Cc1ccc(-c2ccc3c(=O)n(CCC(C(=O)NO)S(C)(=O)=O)cnc3c2)cc1
InChIInChI=1S/C22H26N4O6S/c1-25(32-2)13-15-4-6-16(7-5-15)17-8-9-18-19(12-17)23-14-26(22(18)28)11-10-20(21(27)24-29)33(3,30)31/h4-9,12,14,20,29H,10-11,13H2,1-3H3,(H,24,27)
InChIKeyRATZQPFGIVJHQA-UHFFFAOYSA-N
MW474.54 g/mol
LogP1.37
Rot. Bonds9

About N-hydroxy-4-[7-[4-[[methoxy(methyl)amino]methyl]phenyl]-4-oxoquinazolin-3-yl]-2-methylsulfonylbutanamide

N-hydroxy-4-[7-[4-[[methoxy(methyl)amino]methyl]phenyl]-4-oxoquinazolin-3-yl]-2-methylsulfonylbutanamide (PubChem CID 145326105) has the molecular formula C22H26N4O6S and a molecular weight of 474.54 g/mol. Its IUPAC name is N-hydroxy-4-[7-[4-[[methoxy(methyl)amino]methyl]phenyl]-4-oxoquinazolin-3-yl]-2-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-4-[7-[4-[[methoxy(methyl)amino]methyl]phenyl]-4-oxoquinazolin-3-yl]-2-methylsulfonylbutanamide
PubChem CID145326105
Molecular FormulaC22H26N4O6S
Molecular Weight474.54 g/mol
Exact Mass474.16
IUPAC NameN-hydroxy-4-[7-[4-[[methoxy(methyl)amino]methyl]phenyl]-4-oxoquinazolin-3-yl]-2-methylsulfonylbutanamide
SMILESCON(C)Cc1ccc(-c2ccc3c(=O)n(CCC(C(=O)NO)S(C)(=O)=O)cnc3c2)cc1
InChIInChI=1S/C22H26N4O6S/c1-25(32-2)13-15-4-6-16(7-5-15)17-8-9-18-19(12-17)23-14-26(22(18)28)11-10-20(21(27)24-29)33(3,30)31/h4-9,12,14,20,29H,10-11,13H2,1-3H3,(H,24,27)
InChIKeyRATZQPFGIVJHQA-UHFFFAOYSA-N
XLogP1.37
TPSA130.83 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

(2R)-4-[7-[4-(difluoromethyl)phenyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methylsulfonylbutanamide
CID 155129166
4-[7-[2-fluoro-4-[[methoxy(methyl)amino]methyl]phenyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 155129137
(2R)-4-[7-[2-fluoro-4-[[methoxy(methyl)amino]methyl]phenyl]-4-oxoquinazolin-3-yl]-N,2-dimethyl-2-methylsulfonylbutanamide
CID 158790807
(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
(2R)-4-[7-[4-(difluoromethyl)phenyl]-4-oxoquinazolin-3-yl]-N,2-dimethyl-2-methylsulfonylbutanamide
CID 159519288
(2S)-4-[7-[4-[[cyclopropyl(methyl)amino]methyl]-3-fluorophenyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 160620475
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
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 38046402
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylbutanamide
CID 46470686
N-benzyl-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylpropanamide
CID 39338198

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[7-[4-[[methoxy(methyl)amino]methyl]phenyl]-4-oxoquinazolin-3-yl]-2-methylsulfonylbutanamide?
The IUPAC name of N-hydroxy-4-[7-[4-[[methoxy(methyl)amino]methyl]phenyl]-4-oxoquinazolin-3-yl]-2-methylsulfonylbutanamide (CID 145326105) is N-hydroxy-4-[7-[4-[[methoxy(methyl)amino]methyl]phenyl]-4-oxoquinazolin-3-yl]-2-methylsulfonylbutanamide.
What is the SMILES notation for N-hydroxy-4-[7-[4-[[methoxy(methyl)amino]methyl]phenyl]-4-oxoquinazolin-3-yl]-2-methylsulfonylbutanamide?
The canonical SMILES for N-hydroxy-4-[7-[4-[[methoxy(methyl)amino]methyl]phenyl]-4-oxoquinazolin-3-yl]-2-methylsulfonylbutanamide is CON(C)Cc1ccc(-c2ccc3c(=O)n(CCC(C(=O)NO)S(C)(=O)=O)cnc3c2)cc1.
What is the InChIKey of N-hydroxy-4-[7-[4-[[methoxy(methyl)amino]methyl]phenyl]-4-oxoquinazolin-3-yl]-2-methylsulfonylbutanamide?
The InChIKey is RATZQPFGIVJHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6S/c1-25(32-2)13-15-4-6-16(7-5-15)17-8-9-18-19(12-17)23-14-26(22(18)28)11-10-20(21(27)24-29)33(3,30)31/h4-9,12,14,20,29H,10-11,13H2,1-3H3,(H,24,27).
What are the key properties of N-hydroxy-4-[7-[4-[[methoxy(methyl)amino]methyl]phenyl]-4-oxoquinazolin-3-yl]-2-methylsulfonylbutanamide?
N-hydroxy-4-[7-[4-[[methoxy(methyl)amino]methyl]phenyl]-4-oxoquinazolin-3-yl]-2-methylsulfonylbutanamide has a molecular weight of 474.54 g/mol, XLogP of 1.37, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[7-[4-[[methoxy(methyl)amino]methyl]phenyl]-4-oxoquinazolin-3-yl]-2-methylsulfonylbutanamide is sourced from PubChem (CID 145326105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).