5-chloro-2-(5-chlorothiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid

C14H6Cl2FNO2S — CID 63462330

IUPAC5-chloro-2-(5-chlorothiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)s2)nc2c(F)ccc(Cl)c12
InChIInChI=1S/C14H6Cl2FNO2S/c15-7-1-2-8(17)13-12(7)6(14(19)20)5-9(18-13)10-3-4-11(16)21-10/h1-5H,(H,19,20)
InChIKeyFRIOEJGWCUJXDH-UHFFFAOYSA-N
MW342.18 g/mol
LogP5.11
Rot. Bonds2

About 5-chloro-2-(5-chlorothiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid

5-chloro-2-(5-chlorothiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid (PubChem CID 63462330) has the molecular formula C14H6Cl2FNO2S and a molecular weight of 342.18 g/mol. Its IUPAC name is 5-chloro-2-(5-chlorothiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(5-chlorothiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid
PubChem CID63462330
Molecular FormulaC14H6Cl2FNO2S
Molecular Weight342.18 g/mol
Exact Mass340.95
IUPAC Name5-chloro-2-(5-chlorothiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)s2)nc2c(F)ccc(Cl)c12
InChIInChI=1S/C14H6Cl2FNO2S/c15-7-1-2-8(17)13-12(7)6(14(19)20)5-9(18-13)10-3-4-11(16)21-10/h1-5H,(H,19,20)
InChIKeyFRIOEJGWCUJXDH-UHFFFAOYSA-N
XLogP5.11
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.18
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4016668
5-chloro-2-cyclopropyl-8-fluoroquinoline-4-carboxylic acid
CID 60984950
6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
CID 5024097
5,8-dichloro-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 106988454
5,8-difluoro-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 83215779
2-(4-bromothiophen-2-yl)-5,8-difluoroquinoline-4-carboxylic acid
CID 107354658
6-(5-chlorothiophen-2-yl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 62366086
5-bromo-2-(5-chlorothiophen-2-yl)quinoline-4-carboxylic acid
CID 4503814
5-chloro-2-(2,4-difluorophenyl)-8-methylquinoline-4-carboxylic acid
CID 4579091
5,8-difluoro-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 83206411
8-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride
CID 46779517
8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
CID 63463310

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5-chlorothiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(5-chlorothiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid (CID 63462330) is 5-chloro-2-(5-chlorothiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(5-chlorothiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(5-chlorothiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)s2)nc2c(F)ccc(Cl)c12.
What is the InChIKey of 5-chloro-2-(5-chlorothiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid?
The InChIKey is FRIOEJGWCUJXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2FNO2S/c15-7-1-2-8(17)13-12(7)6(14(19)20)5-9(18-13)10-3-4-11(16)21-10/h1-5H,(H,19,20).
What are the key properties of 5-chloro-2-(5-chlorothiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid?
5-chloro-2-(5-chlorothiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid has a molecular weight of 342.18 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5-chlorothiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid is sourced from PubChem (CID 63462330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).