N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide

C26H24N4O4S — CID 4079689

IUPACN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C26H24N4O4S/c1-18-9-10-19(35(32,33)30-12-14-34-15-13-30)16-24(18)29-26(31)21-17-25(23-8-4-5-11-27-23)28-22-7-3-2-6-20(21)22/h2-11,16-17H,12-15H2,1H3,(H,29,31)
InChIKeyXWSZDQVAHYXUJW-UHFFFAOYSA-N
MW488.57 g/mol
LogP3.88
Rot. Bonds5

About N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide

N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 4079689) has the molecular formula C26H24N4O4S and a molecular weight of 488.57 g/mol. Its IUPAC name is N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID4079689
Molecular FormulaC26H24N4O4S
Molecular Weight488.57 g/mol
Exact Mass488.15
IUPAC NameN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C26H24N4O4S/c1-18-9-10-19(35(32,33)30-12-14-34-15-13-30)16-24(18)29-26(31)21-17-25(23-8-4-5-11-27-23)28-22-7-3-2-6-20(21)22/h2-11,16-17H,12-15H2,1H3,(H,29,31)
InChIKeyXWSZDQVAHYXUJW-UHFFFAOYSA-N
XLogP3.88
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide (CID 4079689) is N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is XWSZDQVAHYXUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S/c1-18-9-10-19(35(32,33)30-12-14-34-15-13-30)16-24(18)29-26(31)21-17-25(23-8-4-5-11-27-23)28-22-7-3-2-6-20(21)22/h2-11,16-17H,12-15H2,1H3,(H,29,31).
What are the key properties of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 488.57 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 4079689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).