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

C18H13FN2O3S — CID 156575852

IUPAC3-fluoro-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol
SMILESCC1=Cc2cc3nccc(Nc4ccc(O)cc4F)c3cc2S1(=O)=O
InChIInChI=1S/C18H13FN2O3S/c1-10-6-11-7-17-13(9-18(11)25(10,23)24)15(4-5-20-17)21-16-3-2-12(22)8-14(16)19/h2-9,22H,1H3,(H,20,21)
InChIKeyLWUBPGZQEVNYJK-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.97
Rot. Bonds2

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

3-fluoro-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol (PubChem CID 156575852) has the molecular formula C18H13FN2O3S and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-fluoro-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol.

Molecular Properties

Compound Name3-fluoro-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol
PubChem CID156575852
Molecular FormulaC18H13FN2O3S
Molecular Weight356.38 g/mol
Exact Mass356.06
IUPAC Name3-fluoro-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol
SMILESCC1=Cc2cc3nccc(Nc4ccc(O)cc4F)c3cc2S1(=O)=O
InChIInChI=1S/C18H13FN2O3S/c1-10-6-11-7-17-13(9-18(11)25(10,23)24)15(4-5-20-17)21-16-3-2-12(22)8-14(16)19/h2-9,22H,1H3,(H,20,21)
InChIKeyLWUBPGZQEVNYJK-UHFFFAOYSA-N
XLogP3.97
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol?
The IUPAC name of 3-fluoro-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol (CID 156575852) is 3-fluoro-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol.
What is the SMILES notation for 3-fluoro-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol?
The canonical SMILES for 3-fluoro-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol is CC1=Cc2cc3nccc(Nc4ccc(O)cc4F)c3cc2S1(=O)=O.
What is the InChIKey of 3-fluoro-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol?
The InChIKey is LWUBPGZQEVNYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O3S/c1-10-6-11-7-17-13(9-18(11)25(10,23)24)15(4-5-20-17)21-16-3-2-12(22)8-14(16)19/h2-9,22H,1H3,(H,20,21).
What are the key properties of 3-fluoro-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol?
3-fluoro-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol has a molecular weight of 356.38 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol is sourced from PubChem (CID 156575852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).