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

C25H22N4O3S — CID 4102267

IUPAC2-pyridin-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C25H22N4O3S/c30-25(27-18-8-7-9-19(16-18)33(31,32)29-14-5-6-15-29)21-17-24(23-12-3-4-13-26-23)28-22-11-2-1-10-20(21)22/h1-4,7-13,16-17H,5-6,14-15H2,(H,27,30)
InChIKeyYQZNITMQWJCGTJ-UHFFFAOYSA-N
MW458.54 g/mol
LogP4.33
Rot. Bonds5

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

2-pyridin-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide (PubChem CID 4102267) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-pyridin-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
PubChem CID4102267
Molecular FormulaC25H22N4O3S
Molecular Weight458.54 g/mol
Exact Mass458.14
IUPAC Name2-pyridin-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C25H22N4O3S/c30-25(27-18-8-7-9-19(16-18)33(31,32)29-14-5-6-15-29)21-17-24(23-12-3-4-13-26-23)28-22-11-2-1-10-20(21)22/h1-4,7-13,16-17H,5-6,14-15H2,(H,27,30)
InChIKeyYQZNITMQWJCGTJ-UHFFFAOYSA-N
XLogP4.33
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-pyridin-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide (CID 4102267) is 2-pyridin-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-pyridin-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-pyridin-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of 2-pyridin-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide?
The InChIKey is YQZNITMQWJCGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S/c30-25(27-18-8-7-9-19(16-18)33(31,32)29-14-5-6-15-29)21-17-24(23-12-3-4-13-26-23)28-22-11-2-1-10-20(21)22/h1-4,7-13,16-17H,5-6,14-15H2,(H,27,30).
What are the key properties of 2-pyridin-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide?
2-pyridin-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide has a molecular weight of 458.54 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4102267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).