7-chloro-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylquinolin-8-ol

C14H15ClN2O3S — CID 122442032

IUPAC7-chloro-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylquinolin-8-ol
SMILESC[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)c(O)c2ncccc12
InChIInChI=1S/C14H15ClN2O3S/c1-9-4-3-7-17(9)21(19,20)12-8-11(15)14(18)13-10(12)5-2-6-16-13/h2,5-6,8-9,18H,3-4,7H2,1H3/t9-/m1/s1
InChIKeyYVPSBJPWEYLUOZ-SECBINFHSA-N
MW326.81 g/mol
LogP2.77
Rot. Bonds2

About 7-chloro-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylquinolin-8-ol

7-chloro-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylquinolin-8-ol (PubChem CID 122442032) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 7-chloro-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylquinolin-8-ol.

Molecular Properties

Compound Name7-chloro-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylquinolin-8-ol
PubChem CID122442032
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name7-chloro-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylquinolin-8-ol
SMILESC[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)c(O)c2ncccc12
InChIInChI=1S/C14H15ClN2O3S/c1-9-4-3-7-17(9)21(19,20)12-8-11(15)14(18)13-10(12)5-2-6-16-13/h2,5-6,8-9,18H,3-4,7H2,1H3/t9-/m1/s1
InChIKeyYVPSBJPWEYLUOZ-SECBINFHSA-N
XLogP2.77
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylquinolin-8-ol?
The IUPAC name of 7-chloro-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylquinolin-8-ol (CID 122442032) is 7-chloro-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylquinolin-8-ol.
What is the SMILES notation for 7-chloro-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylquinolin-8-ol?
The canonical SMILES for 7-chloro-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylquinolin-8-ol is C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)c(O)c2ncccc12.
What is the InChIKey of 7-chloro-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylquinolin-8-ol?
The InChIKey is YVPSBJPWEYLUOZ-SECBINFHSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-9-4-3-7-17(9)21(19,20)12-8-11(15)14(18)13-10(12)5-2-6-16-13/h2,5-6,8-9,18H,3-4,7H2,1H3/t9-/m1/s1.
What are the key properties of 7-chloro-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylquinolin-8-ol?
7-chloro-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylquinolin-8-ol has a molecular weight of 326.81 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylquinolin-8-ol is sourced from PubChem (CID 122442032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).