3-(7-chloroquinolin-4-yl)sulfanylpropanoic acid

C12H10ClNO2S — CID 24705650

IUPAC3-(7-chloroquinolin-4-yl)sulfanylpropanoic acid
SMILESO=C(O)CCSc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C12H10ClNO2S/c13-8-1-2-9-10(7-8)14-5-3-11(9)17-6-4-12(15)16/h1-3,5,7H,4,6H2,(H,15,16)
InChIKeyJZQDPPHKCPUBEI-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.45
Rot. Bonds4

About 3-(7-chloroquinolin-4-yl)sulfanylpropanoic acid

3-(7-chloroquinolin-4-yl)sulfanylpropanoic acid (PubChem CID 24705650) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is 3-(7-chloroquinolin-4-yl)sulfanylpropanoic acid.

Molecular Properties

Compound Name3-(7-chloroquinolin-4-yl)sulfanylpropanoic acid
PubChem CID24705650
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name3-(7-chloroquinolin-4-yl)sulfanylpropanoic acid
SMILESO=C(O)CCSc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C12H10ClNO2S/c13-8-1-2-9-10(7-8)14-5-3-11(9)17-6-4-12(15)16/h1-3,5,7H,4,6H2,(H,15,16)
InChIKeyJZQDPPHKCPUBEI-UHFFFAOYSA-N
XLogP3.45
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-chloroquinolin-4-yl)sulfanylphenol
CID 62026689
6-[(E)-1-[4-chloro-2-(methylideneamino)phenyl]prop-1-enyl]sulfanyl-8-(7-chloroquinolin-4-yl)sulfanyloctanoic acid
CID 139437120
2-(7-chloroquinolin-4-yl)sulfanyl-N-(1-methylcyclobutyl)acetamide
CID 51063627
2-(7-bromoquinolin-4-yl)sulfanylacetic acid
CID 43840483
2-(7-fluoroquinolin-4-yl)sulfanylacetic acid
CID 54773018
13-[(7-chloroquinolin-4-yl)amino]-13-oxotridecanoic acid
CID 156874842
3-(7-chloro-2-propylquinazolin-4-yl)sulfanylpropanoic acid
CID 165492610
7-chloro-4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]quinoline
CID 67842022
2-(7-chloroquinolin-4-yl)sulfanylethyl 4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxylate
CID 166336006
2-[butan-2-yl-(7-chloroquinolin-4-yl)amino]acetic acid
CID 60840202
1-(7-chloroquinolin-4-yl)propan-1-one
CID 139684148
5-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid
CID 10816810

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloroquinolin-4-yl)sulfanylpropanoic acid?
The IUPAC name of 3-(7-chloroquinolin-4-yl)sulfanylpropanoic acid (CID 24705650) is 3-(7-chloroquinolin-4-yl)sulfanylpropanoic acid.
What is the SMILES notation for 3-(7-chloroquinolin-4-yl)sulfanylpropanoic acid?
The canonical SMILES for 3-(7-chloroquinolin-4-yl)sulfanylpropanoic acid is O=C(O)CCSc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 3-(7-chloroquinolin-4-yl)sulfanylpropanoic acid?
The InChIKey is JZQDPPHKCPUBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c13-8-1-2-9-10(7-8)14-5-3-11(9)17-6-4-12(15)16/h1-3,5,7H,4,6H2,(H,15,16).
What are the key properties of 3-(7-chloroquinolin-4-yl)sulfanylpropanoic acid?
3-(7-chloroquinolin-4-yl)sulfanylpropanoic acid has a molecular weight of 267.74 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloroquinolin-4-yl)sulfanylpropanoic acid is sourced from PubChem (CID 24705650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).