7-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide

C23H24FN3O4S — CID 46686340

IUPAC7-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(C)nc2cc(F)ccc12
InChIInChI=1S/C23H24FN3O4S/c1-15-12-19(18-8-6-16(24)13-20(18)25-15)23(28)26-21-14-17(7-9-22(21)31-2)32(29,30)27-10-4-3-5-11-27/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,26,28)
InChIKeyDLVXSSQQYAHUTQ-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.12
Rot. Bonds5

About 7-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide

7-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide (PubChem CID 46686340) has the molecular formula C23H24FN3O4S and a molecular weight of 457.53 g/mol. Its IUPAC name is 7-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide
PubChem CID46686340
Molecular FormulaC23H24FN3O4S
Molecular Weight457.53 g/mol
Exact Mass457.15
IUPAC Name7-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(C)nc2cc(F)ccc12
InChIInChI=1S/C23H24FN3O4S/c1-15-12-19(18-8-6-16(24)13-20(18)25-15)23(28)26-21-14-17(7-9-22(21)31-2)32(29,30)27-10-4-3-5-11-27/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,26,28)
InChIKeyDLVXSSQQYAHUTQ-UHFFFAOYSA-N
XLogP4.12
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide (CID 46686340) is 7-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(C)nc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide?
The InChIKey is DLVXSSQQYAHUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4S/c1-15-12-19(18-8-6-16(24)13-20(18)25-15)23(28)26-21-14-17(7-9-22(21)31-2)32(29,30)27-10-4-3-5-11-27/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,26,28).
What are the key properties of 7-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide?
7-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 46686340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).