N-(oxolan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide

C20H25N3O4S — CID 5309304

IUPACN-(oxolan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C20H25N3O4S/c24-20(22-14-17-6-3-13-27-17)16-8-11-23(12-9-16)28(25,26)18-7-1-4-15-5-2-10-21-19(15)18/h1-2,4-5,7,10,16-17H,3,6,8-9,11-14H2,(H,22,24)
InChIKeyHCFKSJLKZAEICP-UHFFFAOYSA-N
MW403.50 g/mol
LogP1.93
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide

N-(oxolan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide (PubChem CID 5309304) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
PubChem CID5309304
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-(oxolan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C20H25N3O4S/c24-20(22-14-17-6-3-13-27-17)16-8-11-23(12-9-16)28(25,26)18-7-1-4-15-5-2-10-21-19(15)18/h1-2,4-5,7,10,16-17H,3,6,8-9,11-14H2,(H,22,24)
InChIKeyHCFKSJLKZAEICP-UHFFFAOYSA-N
XLogP1.93
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide (CID 5309304) is N-(oxolan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide is O=C(NCC1CCCO1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is HCFKSJLKZAEICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c24-20(22-14-17-6-3-13-27-17)16-8-11-23(12-9-16)28(25,26)18-7-1-4-15-5-2-10-21-19(15)18/h1-2,4-5,7,10,16-17H,3,6,8-9,11-14H2,(H,22,24).
What are the key properties of N-(oxolan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
N-(oxolan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 5309304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).