5-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-2,4-difluorophenol

C20H14F2N2OS — CID 156805053

IUPAC5-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-2,4-difluorophenol
SMILESOc1cc(Nc2ccnc3cc4c(C5CC5)csc4cc23)c(F)cc1F
InChIInChI=1S/C20H14F2N2OS/c21-14-7-15(22)19(25)8-18(14)24-16-3-4-23-17-5-11-13(10-1-2-10)9-26-20(11)6-12(16)17/h3-10,25H,1-2H2,(H,23,24)
InChIKeyKKQSDSDTCWRMCI-UHFFFAOYSA-N
MW368.41 g/mol
LogP6.05
Rot. Bonds3

About 5-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-2,4-difluorophenol

5-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-2,4-difluorophenol (PubChem CID 156805053) has the molecular formula C20H14F2N2OS and a molecular weight of 368.41 g/mol. Its IUPAC name is 5-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-2,4-difluorophenol.

Molecular Properties

Compound Name5-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-2,4-difluorophenol
PubChem CID156805053
Molecular FormulaC20H14F2N2OS
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name5-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-2,4-difluorophenol
SMILESOc1cc(Nc2ccnc3cc4c(C5CC5)csc4cc23)c(F)cc1F
InChIInChI=1S/C20H14F2N2OS/c21-14-7-15(22)19(25)8-18(14)24-16-3-4-23-17-5-11-13(10-1-2-10)9-26-20(11)6-12(16)17/h3-10,25H,1-2H2,(H,23,24)
InChIKeyKKQSDSDTCWRMCI-UHFFFAOYSA-N
XLogP6.05
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.41
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-2,4-difluorophenol?
The IUPAC name of 5-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-2,4-difluorophenol (CID 156805053) is 5-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-2,4-difluorophenol.
What is the SMILES notation for 5-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-2,4-difluorophenol?
The canonical SMILES for 5-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-2,4-difluorophenol is Oc1cc(Nc2ccnc3cc4c(C5CC5)csc4cc23)c(F)cc1F.
What is the InChIKey of 5-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-2,4-difluorophenol?
The InChIKey is KKQSDSDTCWRMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2OS/c21-14-7-15(22)19(25)8-18(14)24-16-3-4-23-17-5-11-13(10-1-2-10)9-26-20(11)6-12(16)17/h3-10,25H,1-2H2,(H,23,24).
What are the key properties of 5-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-2,4-difluorophenol?
5-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-2,4-difluorophenol has a molecular weight of 368.41 g/mol, XLogP of 6.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-2,4-difluorophenol is sourced from PubChem (CID 156805053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).