2-[[7-(4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

C23H19N3O4S — CID 71238462

IUPAC2-[[7-(4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1
InChIInChI=1S/C23H19N3O4S/c1-31(28,29)17-8-6-15(7-9-17)16-12-20-18(4-2-10-25-20)22(13-16)30-14-21-19(23(24)27)5-3-11-26-21/h2-13H,14H2,1H3,(H2,24,27)
InChIKeyZFPGVYKDSOGPDK-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.38
Rot. Bonds6

About 2-[[7-(4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

2-[[7-(4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (PubChem CID 71238462) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is 2-[[7-(4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[7-(4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
PubChem CID71238462
Molecular FormulaC23H19N3O4S
Molecular Weight433.49 g/mol
Exact Mass433.11
IUPAC Name2-[[7-(4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1
InChIInChI=1S/C23H19N3O4S/c1-31(28,29)17-8-6-15(7-9-17)16-12-20-18(4-2-10-25-20)22(13-16)30-14-21-19(23(24)27)5-3-11-26-21/h2-13H,14H2,1H3,(H2,24,27)
InChIKeyZFPGVYKDSOGPDK-UHFFFAOYSA-N
XLogP3.38
TPSA112.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[7-(4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (CID 71238462) is 2-[[7-(4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[7-(4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[7-(4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is CS(=O)(=O)c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1.
What is the InChIKey of 2-[[7-(4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is ZFPGVYKDSOGPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S/c1-31(28,29)17-8-6-15(7-9-17)16-12-20-18(4-2-10-25-20)22(13-16)30-14-21-19(23(24)27)5-3-11-26-21/h2-13H,14H2,1H3,(H2,24,27).
What are the key properties of 2-[[7-(4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
2-[[7-(4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71238462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).