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

C24H26FN3O4S — CID 46686456

IUPACN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(C)nc2cc(F)ccc12
InChIInChI=1S/C24H26FN3O4S/c1-3-32-23-10-8-18(33(30,31)28-11-5-4-6-12-28)15-22(23)27-24(29)20-13-16(2)26-21-14-17(25)7-9-19(20)21/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,27,29)
InChIKeyDNOOFMSGQZXUAR-UHFFFAOYSA-N
MW471.55 g/mol
LogP4.51
Rot. Bonds6

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

N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide (PubChem CID 46686456) has the molecular formula C24H26FN3O4S and a molecular weight of 471.55 g/mol. Its IUPAC name is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
PubChem CID46686456
Molecular FormulaC24H26FN3O4S
Molecular Weight471.55 g/mol
Exact Mass471.16
IUPAC NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(C)nc2cc(F)ccc12
InChIInChI=1S/C24H26FN3O4S/c1-3-32-23-10-8-18(33(30,31)28-11-5-4-6-12-28)15-22(23)27-24(29)20-13-16(2)26-21-14-17(25)7-9-19(20)21/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,27,29)
InChIKeyDNOOFMSGQZXUAR-UHFFFAOYSA-N
XLogP4.51
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide (CID 46686456) is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(C)nc2cc(F)ccc12.
What is the InChIKey of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide?
The InChIKey is DNOOFMSGQZXUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4S/c1-3-32-23-10-8-18(33(30,31)28-11-5-4-6-12-28)15-22(23)27-24(29)20-13-16(2)26-21-14-17(25)7-9-19(20)21/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,27,29).
What are the key properties of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide?
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide has a molecular weight of 471.55 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 46686456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).