4-[(3-chloro-4-fluorophenyl)methyl]thieno[3,2-c]quinoline-7-carboxylic acid

C19H11ClFNO2S — CID 58485162

IUPAC4-[(3-chloro-4-fluorophenyl)methyl]thieno[3,2-c]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Cc1ccc(F)c(Cl)c1)c1ccsc12
InChIInChI=1S/C19H11ClFNO2S/c20-14-7-10(1-4-15(14)21)8-16-13-5-6-25-18(13)12-3-2-11(19(23)24)9-17(12)22-16/h1-7,9H,8H2,(H,23,24)
InChIKeyJWWJVYDZIPWYFJ-UHFFFAOYSA-N
MW371.82 g/mol
LogP5.53
Rot. Bonds3

About 4-[(3-chloro-4-fluorophenyl)methyl]thieno[3,2-c]quinoline-7-carboxylic acid

4-[(3-chloro-4-fluorophenyl)methyl]thieno[3,2-c]quinoline-7-carboxylic acid (PubChem CID 58485162) has the molecular formula C19H11ClFNO2S and a molecular weight of 371.82 g/mol. Its IUPAC name is 4-[(3-chloro-4-fluorophenyl)methyl]thieno[3,2-c]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name4-[(3-chloro-4-fluorophenyl)methyl]thieno[3,2-c]quinoline-7-carboxylic acid
PubChem CID58485162
Molecular FormulaC19H11ClFNO2S
Molecular Weight371.82 g/mol
Exact Mass371.02
IUPAC Name4-[(3-chloro-4-fluorophenyl)methyl]thieno[3,2-c]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Cc1ccc(F)c(Cl)c1)c1ccsc12
InChIInChI=1S/C19H11ClFNO2S/c20-14-7-10(1-4-15(14)21)8-16-13-5-6-25-18(13)12-3-2-11(19(23)24)9-17(12)22-16/h1-7,9H,8H2,(H,23,24)
InChIKeyJWWJVYDZIPWYFJ-UHFFFAOYSA-N
XLogP5.53
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.82
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chloro-4-fluorophenyl)methyl]benzoic acid
CID 116927199
4-(2-pyridin-3-ylethyl)thieno[3,2-c]quinoline-7-carboxylic acid
CID 58485083
3-[(3-chloro-4-fluorophenyl)methyl]-5-(cyclopropylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 157408060
3-(3-chlorothiophen-2-yl)-4-fluorobenzoic acid
CID 107957646
4-chloro-2-ethylquinoline-7-carboxylic acid
CID 126753847
3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-4-fluorobenzoic acid
CID 106468572
1-(3-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 103039345
4-[(3,5-difluorocyclohexa-1,3-dien-1-yl)amino]thieno[3,2-c]quinoline-7-carboxylic acid
CID 70961674
4-[(3-chloro-4-fluorophenyl)methylamino]benzoic acid
CID 62531732
3-[(3-chloro-4-fluorophenyl)methylcarbamoyl]benzoic acid
CID 62532100
2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone
CID 103042866
2-(3-chloro-4-fluorophenyl)-1-phenylethanone
CID 67471302

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-fluorophenyl)methyl]thieno[3,2-c]quinoline-7-carboxylic acid?
The IUPAC name of 4-[(3-chloro-4-fluorophenyl)methyl]thieno[3,2-c]quinoline-7-carboxylic acid (CID 58485162) is 4-[(3-chloro-4-fluorophenyl)methyl]thieno[3,2-c]quinoline-7-carboxylic acid.
What is the SMILES notation for 4-[(3-chloro-4-fluorophenyl)methyl]thieno[3,2-c]quinoline-7-carboxylic acid?
The canonical SMILES for 4-[(3-chloro-4-fluorophenyl)methyl]thieno[3,2-c]quinoline-7-carboxylic acid is O=C(O)c1ccc2c(c1)nc(Cc1ccc(F)c(Cl)c1)c1ccsc12.
What is the InChIKey of 4-[(3-chloro-4-fluorophenyl)methyl]thieno[3,2-c]quinoline-7-carboxylic acid?
The InChIKey is JWWJVYDZIPWYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFNO2S/c20-14-7-10(1-4-15(14)21)8-16-13-5-6-25-18(13)12-3-2-11(19(23)24)9-17(12)22-16/h1-7,9H,8H2,(H,23,24).
What are the key properties of 4-[(3-chloro-4-fluorophenyl)methyl]thieno[3,2-c]quinoline-7-carboxylic acid?
4-[(3-chloro-4-fluorophenyl)methyl]thieno[3,2-c]quinoline-7-carboxylic acid has a molecular weight of 371.82 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-fluorophenyl)methyl]thieno[3,2-c]quinoline-7-carboxylic acid is sourced from PubChem (CID 58485162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).