N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide

C23H25N3O4S — CID 5308709

IUPACN-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)c1
InChIInChI=1S/C23H25N3O4S/c1-30-20-8-2-5-17(15-20)16-25-23(27)19-10-13-26(14-11-19)31(28,29)21-9-3-6-18-7-4-12-24-22(18)21/h2-9,12,15,19H,10-11,13-14,16H2,1H3,(H,25,27)
InChIKeyGSECPALZUCMNEI-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.96
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide

N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide (PubChem CID 5308709) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
PubChem CID5308709
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)c1
InChIInChI=1S/C23H25N3O4S/c1-30-20-8-2-5-17(15-20)16-25-23(27)19-10-13-26(14-11-19)31(28,29)21-9-3-6-18-7-4-12-24-22(18)21/h2-9,12,15,19H,10-11,13-14,16H2,1H3,(H,25,27)
InChIKeyGSECPALZUCMNEI-UHFFFAOYSA-N
XLogP2.96
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide (CID 5308709) is N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide is COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is GSECPALZUCMNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-30-20-8-2-5-17(15-20)16-25-23(27)19-10-13-26(14-11-19)31(28,29)21-9-3-6-18-7-4-12-24-22(18)21/h2-9,12,15,19H,10-11,13-14,16H2,1H3,(H,25,27).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 5308709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).