1-(6-cyclopropylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid

C17H17NO2S — CID 86291611

IUPAC1-(6-cyclopropylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1(Sc2ccnc3ccc(C4CC4)cc23)CCC1
InChIInChI=1S/C17H17NO2S/c19-16(20)17(7-1-8-17)21-15-6-9-18-14-5-4-12(10-13(14)15)11-2-3-11/h4-6,9-11H,1-3,7-8H2,(H,19,20)
InChIKeySUEHWPJKAYDVPJ-UHFFFAOYSA-N
MW299.39 g/mol
LogP4.21
Rot. Bonds4

About 1-(6-cyclopropylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid

1-(6-cyclopropylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid (PubChem CID 86291611) has the molecular formula C17H17NO2S and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-(6-cyclopropylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-cyclopropylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid
PubChem CID86291611
Molecular FormulaC17H17NO2S
Molecular Weight299.39 g/mol
Exact Mass299.10
IUPAC Name1-(6-cyclopropylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1(Sc2ccnc3ccc(C4CC4)cc23)CCC1
InChIInChI=1S/C17H17NO2S/c19-16(20)17(7-1-8-17)21-15-6-9-18-14-5-4-12(10-13(14)15)11-2-3-11/h4-6,9-11H,1-3,7-8H2,(H,19,20)
InChIKeySUEHWPJKAYDVPJ-UHFFFAOYSA-N
XLogP4.21
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopropylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-(6-cyclopropylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid (CID 86291611) is 1-(6-cyclopropylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(6-cyclopropylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(6-cyclopropylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid is O=C(O)C1(Sc2ccnc3ccc(C4CC4)cc23)CCC1.
What is the InChIKey of 1-(6-cyclopropylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid?
The InChIKey is SUEHWPJKAYDVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c19-16(20)17(7-1-8-17)21-15-6-9-18-14-5-4-12(10-13(14)15)11-2-3-11/h4-6,9-11H,1-3,7-8H2,(H,19,20).
What are the key properties of 1-(6-cyclopropylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid?
1-(6-cyclopropylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid has a molecular weight of 299.39 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopropylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 86291611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).