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

C26H24N4O4S — CID 1261894

IUPAC6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccn3)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2c1
InChIInChI=1S/C26H24N4O4S/c1-18-5-10-23-21(16-18)22(17-25(29-23)24-4-2-3-11-27-24)26(31)28-19-6-8-20(9-7-19)35(32,33)30-12-14-34-15-13-30/h2-11,16-17H,12-15H2,1H3,(H,28,31)
InChIKeyKXAHTHUGPBSXNS-UHFFFAOYSA-N
MW488.57 g/mol
LogP3.88
Rot. Bonds5

About 6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide

6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 1261894) has the molecular formula C26H24N4O4S and a molecular weight of 488.57 g/mol. Its IUPAC name is 6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID1261894
Molecular FormulaC26H24N4O4S
Molecular Weight488.57 g/mol
Exact Mass488.15
IUPAC Name6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccn3)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2c1
InChIInChI=1S/C26H24N4O4S/c1-18-5-10-23-21(16-18)22(17-25(29-23)24-4-2-3-11-27-24)26(31)28-19-6-8-20(9-7-19)35(32,33)30-12-14-34-15-13-30/h2-11,16-17H,12-15H2,1H3,(H,28,31)
InChIKeyKXAHTHUGPBSXNS-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 6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of 6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide (CID 1261894) is 6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for 6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide is Cc1ccc2nc(-c3ccccn3)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2c1.
What is the InChIKey of 6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is KXAHTHUGPBSXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S/c1-18-5-10-23-21(16-18)22(17-25(29-23)24-4-2-3-11-27-24)26(31)28-19-6-8-20(9-7-19)35(32,33)30-12-14-34-15-13-30/h2-11,16-17H,12-15H2,1H3,(H,28,31).
What are the key properties of 6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
6-methyl-N-(4-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 6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 1261894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).