N-hydroxy-4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]benzamide

C22H18N4O3 — CID 122550258

IUPACN-hydroxy-4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]benzamide
SMILESCN(c1ccc(Oc2ccc(C(=O)NO)cc2)cc1)c1ncnc2ccccc12
InChIInChI=1S/C22H18N4O3/c1-26(21-19-4-2-3-5-20(19)23-14-24-21)16-8-12-18(13-9-16)29-17-10-6-15(7-11-17)22(27)25-28/h2-14,28H,1H3,(H,25,27)
InChIKeyVVJBBLOFHAFDQB-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.31
Rot. Bonds5

About N-hydroxy-4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]benzamide

N-hydroxy-4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]benzamide (PubChem CID 122550258) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-hydroxy-4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]benzamide
PubChem CID122550258
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC NameN-hydroxy-4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]benzamide
SMILESCN(c1ccc(Oc2ccc(C(=O)NO)cc2)cc1)c1ncnc2ccccc12
InChIInChI=1S/C22H18N4O3/c1-26(21-19-4-2-3-5-20(19)23-14-24-21)16-8-12-18(13-9-16)29-17-10-6-15(7-11-17)22(27)25-28/h2-14,28H,1H3,(H,25,27)
InChIKeyVVJBBLOFHAFDQB-UHFFFAOYSA-N
XLogP4.31
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.31
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

2-hydroxy-1-[4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]phenyl]ethanone
CID 159797660
methyl 6-[4-[methyl(quinazolin-4-yl)amino]phenoxy]pyridine-3-carboxylate
CID 122550232
N-hydroxy-5-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-2-carboxamide
CID 122550155
N-methyl-4-[[methyl(quinazolin-4-yl)amino]methyl]benzamide
CID 36790361
4-quinazolin-4-yloxybenzoic acid
CID 61395638
N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide
CID 122550234
N-hydroxy-4-[(quinazolin-4-ylamino)methyl]benzamide
CID 142755257
N-methyl-N-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]quinazolin-4-amine
CID 134186489
2-chloro-N-methyl-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 11325910
N,N-dimethylquinazolin-4-amine;hydrochloride
CID 174283261
N-methyl-4-quinazolin-4-yloxyaniline
CID 61027989
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-quinazolin-4-ylcarbamate
CID 174779366

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]benzamide?
The IUPAC name of N-hydroxy-4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]benzamide (CID 122550258) is N-hydroxy-4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]benzamide.
What is the SMILES notation for N-hydroxy-4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]benzamide?
The canonical SMILES for N-hydroxy-4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]benzamide is CN(c1ccc(Oc2ccc(C(=O)NO)cc2)cc1)c1ncnc2ccccc12.
What is the InChIKey of N-hydroxy-4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]benzamide?
The InChIKey is VVJBBLOFHAFDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-26(21-19-4-2-3-5-20(19)23-14-24-21)16-8-12-18(13-9-16)29-17-10-6-15(7-11-17)22(27)25-28/h2-14,28H,1H3,(H,25,27).
What are the key properties of N-hydroxy-4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]benzamide?
N-hydroxy-4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]benzamide has a molecular weight of 386.41 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]benzamide is sourced from PubChem (CID 122550258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).