6-chloro-2-pyridin-3-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide

C25H21ClN4O3S — CID 2220963

IUPAC6-chloro-2-pyridin-3-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12
InChIInChI=1S/C25H21ClN4O3S/c26-18-5-10-23-21(14-18)22(15-24(29-23)17-4-3-11-27-16-17)25(31)28-19-6-8-20(9-7-19)34(32,33)30-12-1-2-13-30/h3-11,14-16H,1-2,12-13H2,(H,28,31)
InChIKeyZHTCVGLPYGSUMQ-UHFFFAOYSA-N
MW492.99 g/mol
LogP4.99
Rot. Bonds5

About 6-chloro-2-pyridin-3-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide

6-chloro-2-pyridin-3-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide (PubChem CID 2220963) has the molecular formula C25H21ClN4O3S and a molecular weight of 492.99 g/mol. Its IUPAC name is 6-chloro-2-pyridin-3-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-pyridin-3-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
PubChem CID2220963
Molecular FormulaC25H21ClN4O3S
Molecular Weight492.99 g/mol
Exact Mass492.10
IUPAC Name6-chloro-2-pyridin-3-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12
InChIInChI=1S/C25H21ClN4O3S/c26-18-5-10-23-21(14-18)22(15-24(29-23)17-4-3-11-27-16-17)25(31)28-19-6-8-20(9-7-19)34(32,33)30-12-1-2-13-30/h3-11,14-16H,1-2,12-13H2,(H,28,31)
InChIKeyZHTCVGLPYGSUMQ-UHFFFAOYSA-N
XLogP4.99
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.99
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-pyridin-3-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide?
The IUPAC name of 6-chloro-2-pyridin-3-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide (CID 2220963) is 6-chloro-2-pyridin-3-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-2-pyridin-3-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 6-chloro-2-pyridin-3-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-pyridin-3-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide?
The InChIKey is ZHTCVGLPYGSUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O3S/c26-18-5-10-23-21(14-18)22(15-24(29-23)17-4-3-11-27-16-17)25(31)28-19-6-8-20(9-7-19)34(32,33)30-12-1-2-13-30/h3-11,14-16H,1-2,12-13H2,(H,28,31).
What are the key properties of 6-chloro-2-pyridin-3-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide?
6-chloro-2-pyridin-3-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide has a molecular weight of 492.99 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-pyridin-3-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2220963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).