3-[[6-(methylsulfonimidoyl)quinazolin-4-yl]amino]phenol

C15H14N4O2S — CID 42641380

IUPAC3-[[6-(methylsulfonimidoyl)quinazolin-4-yl]amino]phenol
SMILES[H]N=S(C)(=O)c1ccc2ncnc(Nc3cccc(O)c3)c2c1
InChIInChI=1S/C15H14N4O2S/c1-22(16,21)12-5-6-14-13(8-12)15(18-9-17-14)19-10-3-2-4-11(20)7-10/h2-9,16,20H,1H3,(H,17,18,19)
InChIKeyDOAVIBHLFHDIPN-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.11
Rot. Bonds3

About 3-[[6-(methylsulfonimidoyl)quinazolin-4-yl]amino]phenol

3-[[6-(methylsulfonimidoyl)quinazolin-4-yl]amino]phenol (PubChem CID 42641380) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 3-[[6-(methylsulfonimidoyl)quinazolin-4-yl]amino]phenol.

Molecular Properties

Compound Name3-[[6-(methylsulfonimidoyl)quinazolin-4-yl]amino]phenol
PubChem CID42641380
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name3-[[6-(methylsulfonimidoyl)quinazolin-4-yl]amino]phenol
SMILES[H]N=S(C)(=O)c1ccc2ncnc(Nc3cccc(O)c3)c2c1
InChIInChI=1S/C15H14N4O2S/c1-22(16,21)12-5-6-14-13(8-12)15(18-9-17-14)19-10-3-2-4-11(20)7-10/h2-9,16,20H,1H3,(H,17,18,19)
InChIKeyDOAVIBHLFHDIPN-UHFFFAOYSA-N
XLogP3.11
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-nitroquinazolin-4-yl)amino]phenol
CID 7200288
4-anilinoquinazolin-6-ol;ethane
CID 91520479
4-(3-hydroxyanilino)quinazoline-7-carboxylic acid;hydrochloride
CID 20982572
N-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine
CID 119045563
3-[2-[2-[3-(methylsulfonimidoyl)anilino]pyrimidin-5-yl]ethynyl]phenol
CID 25153398
1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone
CID 21002622
methyl 3-[(6-fluoroquinazolin-4-yl)amino]benzoate
CID 110434578
(2R)-3-ethyl-1-[(6-methylsulfonylquinazolin-4-yl)amino]pentan-2-ol
CID 124847327
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 720635
6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine
CID 709498
N-(3-chlorophenyl)-6-ethylquinazolin-4-amine
CID 21002612

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(methylsulfonimidoyl)quinazolin-4-yl]amino]phenol?
The IUPAC name of 3-[[6-(methylsulfonimidoyl)quinazolin-4-yl]amino]phenol (CID 42641380) is 3-[[6-(methylsulfonimidoyl)quinazolin-4-yl]amino]phenol.
What is the SMILES notation for 3-[[6-(methylsulfonimidoyl)quinazolin-4-yl]amino]phenol?
The canonical SMILES for 3-[[6-(methylsulfonimidoyl)quinazolin-4-yl]amino]phenol is [H]N=S(C)(=O)c1ccc2ncnc(Nc3cccc(O)c3)c2c1.
What is the InChIKey of 3-[[6-(methylsulfonimidoyl)quinazolin-4-yl]amino]phenol?
The InChIKey is DOAVIBHLFHDIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-22(16,21)12-5-6-14-13(8-12)15(18-9-17-14)19-10-3-2-4-11(20)7-10/h2-9,16,20H,1H3,(H,17,18,19).
What are the key properties of 3-[[6-(methylsulfonimidoyl)quinazolin-4-yl]amino]phenol?
3-[[6-(methylsulfonimidoyl)quinazolin-4-yl]amino]phenol has a molecular weight of 314.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(methylsulfonimidoyl)quinazolin-4-yl]amino]phenol is sourced from PubChem (CID 42641380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).