3-methyl-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol

C19H16N2O3S — CID 156576013

IUPAC3-methyl-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol
SMILESCC1=Cc2cc3nccc(Nc4ccc(O)cc4C)c3cc2S1(=O)=O
InChIInChI=1S/C19H16N2O3S/c1-11-7-14(22)3-4-16(11)21-17-5-6-20-18-9-13-8-12(2)25(23,24)19(13)10-15(17)18/h3-10,22H,1-2H3,(H,20,21)
InChIKeyWMXFSLUTEUIBJO-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.14
Rot. Bonds2

About 3-methyl-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol

3-methyl-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol (PubChem CID 156576013) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 3-methyl-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol.

Molecular Properties

Compound Name3-methyl-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol
PubChem CID156576013
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name3-methyl-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol
SMILESCC1=Cc2cc3nccc(Nc4ccc(O)cc4C)c3cc2S1(=O)=O
InChIInChI=1S/C19H16N2O3S/c1-11-7-14(22)3-4-16(11)21-17-5-6-20-18-9-13-8-12(2)25(23,24)19(13)10-15(17)18/h3-10,22H,1-2H3,(H,20,21)
InChIKeyWMXFSLUTEUIBJO-UHFFFAOYSA-N
XLogP4.14
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol
CID 156575852
N-[5-(aminomethyl)-2-methylphenyl]-2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-amine
CID 156566120
N-imidazo[1,2-a]pyridin-7-yl-2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-amine
CID 156566132
3-fluoro-4-[(3-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol
CID 156576041
ethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate
CID 58170411
4-methyl-3-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol
CID 174218840
N-(1,3-benzothiazol-5-yl)-1,1-dioxo-2-propan-2-ylthieno[2,3-g]quinolin-8-amine
CID 156575906
3-[(6-dimethylphosphanylquinolin-4-yl)amino]-4-methylphenol
CID 165123425
4-(5-hydroxy-2-methylanilino)-N-(2-methylsulfonylethyl)quinoline-6-carboxamide
CID 54672856
ethanol;ethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate;4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylic acid
CID 162050100
N-(2,4-dimethylphenyl)-6-methylsulfanylquinolin-4-amine
CID 123394098
4-[(6-methylsulfonylquinolin-4-yl)amino]phenol
CID 54673836

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol?
The IUPAC name of 3-methyl-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol (CID 156576013) is 3-methyl-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol.
What is the SMILES notation for 3-methyl-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol?
The canonical SMILES for 3-methyl-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol is CC1=Cc2cc3nccc(Nc4ccc(O)cc4C)c3cc2S1(=O)=O.
What is the InChIKey of 3-methyl-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol?
The InChIKey is WMXFSLUTEUIBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-11-7-14(22)3-4-16(11)21-17-5-6-20-18-9-13-8-12(2)25(23,24)19(13)10-15(17)18/h3-10,22H,1-2H3,(H,20,21).
What are the key properties of 3-methyl-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol?
3-methyl-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol has a molecular weight of 352.42 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol is sourced from PubChem (CID 156576013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).