2,4-difluoro-5-[(3-methylthieno[2,3-g]quinolin-8-yl)amino]phenol

C18H12F2N2OS — CID 156805020

IUPAC2,4-difluoro-5-[(3-methylthieno[2,3-g]quinolin-8-yl)amino]phenol
SMILESCc1csc2cc3c(Nc4cc(O)c(F)cc4F)ccnc3cc12
InChIInChI=1S/C18H12F2N2OS/c1-9-8-24-18-5-11-14(2-3-21-15(11)4-10(9)18)22-16-7-17(23)13(20)6-12(16)19/h2-8,23H,1H3,(H,21,22)
InChIKeyMMDOXQJGFIPPSC-UHFFFAOYSA-N
MW342.37 g/mol
LogP5.49
Rot. Bonds2

About 2,4-difluoro-5-[(3-methylthieno[2,3-g]quinolin-8-yl)amino]phenol

2,4-difluoro-5-[(3-methylthieno[2,3-g]quinolin-8-yl)amino]phenol (PubChem CID 156805020) has the molecular formula C18H12F2N2OS and a molecular weight of 342.37 g/mol. Its IUPAC name is 2,4-difluoro-5-[(3-methylthieno[2,3-g]quinolin-8-yl)amino]phenol.

Molecular Properties

Compound Name2,4-difluoro-5-[(3-methylthieno[2,3-g]quinolin-8-yl)amino]phenol
PubChem CID156805020
Molecular FormulaC18H12F2N2OS
Molecular Weight342.37 g/mol
Exact Mass342.06
IUPAC Name2,4-difluoro-5-[(3-methylthieno[2,3-g]quinolin-8-yl)amino]phenol
SMILESCc1csc2cc3c(Nc4cc(O)c(F)cc4F)ccnc3cc12
InChIInChI=1S/C18H12F2N2OS/c1-9-8-24-18-5-11-14(2-3-21-15(11)4-10(9)18)22-16-7-17(23)13(20)6-12(16)19/h2-8,23H,1H3,(H,21,22)
InChIKeyMMDOXQJGFIPPSC-UHFFFAOYSA-N
XLogP5.49
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.37
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[(3-methylthieno[2,3-g]quinolin-8-yl)amino]phenol?
The IUPAC name of 2,4-difluoro-5-[(3-methylthieno[2,3-g]quinolin-8-yl)amino]phenol (CID 156805020) is 2,4-difluoro-5-[(3-methylthieno[2,3-g]quinolin-8-yl)amino]phenol.
What is the SMILES notation for 2,4-difluoro-5-[(3-methylthieno[2,3-g]quinolin-8-yl)amino]phenol?
The canonical SMILES for 2,4-difluoro-5-[(3-methylthieno[2,3-g]quinolin-8-yl)amino]phenol is Cc1csc2cc3c(Nc4cc(O)c(F)cc4F)ccnc3cc12.
What is the InChIKey of 2,4-difluoro-5-[(3-methylthieno[2,3-g]quinolin-8-yl)amino]phenol?
The InChIKey is MMDOXQJGFIPPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2OS/c1-9-8-24-18-5-11-14(2-3-21-15(11)4-10(9)18)22-16-7-17(23)13(20)6-12(16)19/h2-8,23H,1H3,(H,21,22).
What are the key properties of 2,4-difluoro-5-[(3-methylthieno[2,3-g]quinolin-8-yl)amino]phenol?
2,4-difluoro-5-[(3-methylthieno[2,3-g]quinolin-8-yl)amino]phenol has a molecular weight of 342.37 g/mol, XLogP of 5.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[(3-methylthieno[2,3-g]quinolin-8-yl)amino]phenol is sourced from PubChem (CID 156805020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).