6,8-difluoro-3-(4-methoxyphenyl)thieno[3,2-c]quinoline-2-carboxylic acid

C19H11F2NO3S — CID 22425166

IUPAC6,8-difluoro-3-(4-methoxyphenyl)thieno[3,2-c]quinoline-2-carboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)sc3c2cnc2c(F)cc(F)cc23)cc1
InChIInChI=1S/C19H11F2NO3S/c1-25-11-4-2-9(3-5-11)15-13-8-22-16-12(6-10(20)7-14(16)21)17(13)26-18(15)19(23)24/h2-8H,1H3,(H,23,24)
InChIKeySPBYFFCPBSPNHA-UHFFFAOYSA-N
MW371.36 g/mol
LogP5.10
Rot. Bonds3

About 6,8-difluoro-3-(4-methoxyphenyl)thieno[3,2-c]quinoline-2-carboxylic acid

6,8-difluoro-3-(4-methoxyphenyl)thieno[3,2-c]quinoline-2-carboxylic acid (PubChem CID 22425166) has the molecular formula C19H11F2NO3S and a molecular weight of 371.36 g/mol. Its IUPAC name is 6,8-difluoro-3-(4-methoxyphenyl)thieno[3,2-c]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name6,8-difluoro-3-(4-methoxyphenyl)thieno[3,2-c]quinoline-2-carboxylic acid
PubChem CID22425166
Molecular FormulaC19H11F2NO3S
Molecular Weight371.36 g/mol
Exact Mass371.04
IUPAC Name6,8-difluoro-3-(4-methoxyphenyl)thieno[3,2-c]quinoline-2-carboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)sc3c2cnc2c(F)cc(F)cc23)cc1
InChIInChI=1S/C19H11F2NO3S/c1-25-11-4-2-9(3-5-11)15-13-8-22-16-12(6-10(20)7-14(16)21)17(13)26-18(15)19(23)24/h2-8H,1H3,(H,23,24)
InChIKeySPBYFFCPBSPNHA-UHFFFAOYSA-N
XLogP5.10
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.36
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-3-(4-methoxyphenyl)thieno[3,2-c]quinoline-2-carboxylic acid?
The IUPAC name of 6,8-difluoro-3-(4-methoxyphenyl)thieno[3,2-c]quinoline-2-carboxylic acid (CID 22425166) is 6,8-difluoro-3-(4-methoxyphenyl)thieno[3,2-c]quinoline-2-carboxylic acid.
What is the SMILES notation for 6,8-difluoro-3-(4-methoxyphenyl)thieno[3,2-c]quinoline-2-carboxylic acid?
The canonical SMILES for 6,8-difluoro-3-(4-methoxyphenyl)thieno[3,2-c]quinoline-2-carboxylic acid is COc1ccc(-c2c(C(=O)O)sc3c2cnc2c(F)cc(F)cc23)cc1.
What is the InChIKey of 6,8-difluoro-3-(4-methoxyphenyl)thieno[3,2-c]quinoline-2-carboxylic acid?
The InChIKey is SPBYFFCPBSPNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F2NO3S/c1-25-11-4-2-9(3-5-11)15-13-8-22-16-12(6-10(20)7-14(16)21)17(13)26-18(15)19(23)24/h2-8H,1H3,(H,23,24).
What are the key properties of 6,8-difluoro-3-(4-methoxyphenyl)thieno[3,2-c]quinoline-2-carboxylic acid?
6,8-difluoro-3-(4-methoxyphenyl)thieno[3,2-c]quinoline-2-carboxylic acid has a molecular weight of 371.36 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-3-(4-methoxyphenyl)thieno[3,2-c]quinoline-2-carboxylic acid is sourced from PubChem (CID 22425166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).