4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]-2-(trifluoromethyl)phenol

C19H13F3N2OS — CID 156804979

IUPAC4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]-2-(trifluoromethyl)phenol
SMILESCc1cc2cc3nccc(Nc4ccc(O)c(C(F)(F)F)c4)c3cc2s1
InChIInChI=1S/C19H13F3N2OS/c1-10-6-11-7-16-13(9-18(11)26-10)15(4-5-23-16)24-12-2-3-17(25)14(8-12)19(20,21)22/h2-9,25H,1H3,(H,23,24)
InChIKeyRPQSIUCWJXHQSJ-UHFFFAOYSA-N
MW374.39 g/mol
LogP6.23
Rot. Bonds2

About 4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]-2-(trifluoromethyl)phenol

4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]-2-(trifluoromethyl)phenol (PubChem CID 156804979) has the molecular formula C19H13F3N2OS and a molecular weight of 374.39 g/mol. Its IUPAC name is 4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]-2-(trifluoromethyl)phenol
PubChem CID156804979
Molecular FormulaC19H13F3N2OS
Molecular Weight374.39 g/mol
Exact Mass374.07
IUPAC Name4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]-2-(trifluoromethyl)phenol
SMILESCc1cc2cc3nccc(Nc4ccc(O)c(C(F)(F)F)c4)c3cc2s1
InChIInChI=1S/C19H13F3N2OS/c1-10-6-11-7-16-13(9-18(11)26-10)15(4-5-23-16)24-12-2-3-17(25)14(8-12)19(20,21)22/h2-9,25H,1H3,(H,23,24)
InChIKeyRPQSIUCWJXHQSJ-UHFFFAOYSA-N
XLogP6.23
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.39
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]-2-(trifluoromethyl)phenol?
The IUPAC name of 4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]-2-(trifluoromethyl)phenol (CID 156804979) is 4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]-2-(trifluoromethyl)phenol.
What is the SMILES notation for 4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]-2-(trifluoromethyl)phenol?
The canonical SMILES for 4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]-2-(trifluoromethyl)phenol is Cc1cc2cc3nccc(Nc4ccc(O)c(C(F)(F)F)c4)c3cc2s1.
What is the InChIKey of 4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]-2-(trifluoromethyl)phenol?
The InChIKey is RPQSIUCWJXHQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2OS/c1-10-6-11-7-16-13(9-18(11)26-10)15(4-5-23-16)24-12-2-3-17(25)14(8-12)19(20,21)22/h2-9,25H,1H3,(H,23,24).
What are the key properties of 4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]-2-(trifluoromethyl)phenol?
4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]-2-(trifluoromethyl)phenol has a molecular weight of 374.39 g/mol, XLogP of 6.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]-2-(trifluoromethyl)phenol is sourced from PubChem (CID 156804979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).