N-(3-methoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

C22H23N3O4S — CID 5307253

IUPACN-(3-methoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)c1
InChIInChI=1S/C22H23N3O4S/c1-29-19-10-3-9-18(14-19)24-22(26)17-8-5-13-25(15-17)30(27,28)20-11-2-6-16-7-4-12-23-21(16)20/h2-4,6-7,9-12,14,17H,5,8,13,15H2,1H3,(H,24,26)
InChIKeyXKMWCNQSIOKJGN-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.28
Rot. Bonds5

About N-(3-methoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

N-(3-methoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (PubChem CID 5307253) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
PubChem CID5307253
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC NameN-(3-methoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)c1
InChIInChI=1S/C22H23N3O4S/c1-29-19-10-3-9-18(14-19)24-22(26)17-8-5-13-25(15-17)30(27,28)20-11-2-6-16-7-4-12-23-21(16)20/h2-4,6-7,9-12,14,17H,5,8,13,15H2,1H3,(H,24,26)
InChIKeyXKMWCNQSIOKJGN-UHFFFAOYSA-N
XLogP3.28
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (CID 5307253) is N-(3-methoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is COc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is XKMWCNQSIOKJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-29-19-10-3-9-18(14-19)24-22(26)17-8-5-13-25(15-17)30(27,28)20-11-2-6-16-7-4-12-23-21(16)20/h2-4,6-7,9-12,14,17H,5,8,13,15H2,1H3,(H,24,26).
What are the key properties of N-(3-methoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
N-(3-methoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 5307253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).