1-ethyl-4-oxo-6-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide

C23H26N4O4S — CID 3240783

IUPAC1-ethyl-4-oxo-6-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C23H26N4O4S/c1-2-26-16-20(23(29)25-15-17-8-4-5-11-24-17)22(28)19-14-18(9-10-21(19)26)32(30,31)27-12-6-3-7-13-27/h4-5,8-11,14,16H,2-3,6-7,12-13,15H2,1H3,(H,25,29)
InChIKeyNZAABZZVWXTTTF-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.52
Rot. Bonds6

About 1-ethyl-4-oxo-6-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide

1-ethyl-4-oxo-6-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide (PubChem CID 3240783) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 1-ethyl-4-oxo-6-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-oxo-6-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
PubChem CID3240783
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name1-ethyl-4-oxo-6-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C23H26N4O4S/c1-2-26-16-20(23(29)25-15-17-8-4-5-11-24-17)22(28)19-14-18(9-10-21(19)26)32(30,31)27-12-6-3-7-13-27/h4-5,8-11,14,16H,2-3,6-7,12-13,15H2,1H3,(H,25,29)
InChIKeyNZAABZZVWXTTTF-UHFFFAOYSA-N
XLogP2.52
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-oxo-6-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide?
The IUPAC name of 1-ethyl-4-oxo-6-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide (CID 3240783) is 1-ethyl-4-oxo-6-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-oxo-6-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-4-oxo-6-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide is CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of 1-ethyl-4-oxo-6-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide?
The InChIKey is NZAABZZVWXTTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-2-26-16-20(23(29)25-15-17-8-4-5-11-24-17)22(28)19-14-18(9-10-21(19)26)32(30,31)27-12-6-3-7-13-27/h4-5,8-11,14,16H,2-3,6-7,12-13,15H2,1H3,(H,25,29).
What are the key properties of 1-ethyl-4-oxo-6-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide?
1-ethyl-4-oxo-6-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-oxo-6-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide is sourced from PubChem (CID 3240783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).