1-pyridin-2-yl-4-quinolin-8-ylsulfonylpiperazin-2-one

C18H16N4O3S — CID 134161610

IUPAC1-pyridin-2-yl-4-quinolin-8-ylsulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2cccc3cccnc23)CCN1c1ccccn1
InChIInChI=1S/C18H16N4O3S/c23-17-13-21(11-12-22(17)16-8-1-2-9-19-16)26(24,25)15-7-3-5-14-6-4-10-20-18(14)15/h1-10H,11-13H2
InChIKeyVKQYQQLARDAQTD-UHFFFAOYSA-N
MW368.42 g/mol
LogP1.67
Rot. Bonds3

About 1-pyridin-2-yl-4-quinolin-8-ylsulfonylpiperazin-2-one

1-pyridin-2-yl-4-quinolin-8-ylsulfonylpiperazin-2-one (PubChem CID 134161610) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 1-pyridin-2-yl-4-quinolin-8-ylsulfonylpiperazin-2-one.

Molecular Properties

Compound Name1-pyridin-2-yl-4-quinolin-8-ylsulfonylpiperazin-2-one
PubChem CID134161610
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name1-pyridin-2-yl-4-quinolin-8-ylsulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2cccc3cccnc23)CCN1c1ccccn1
InChIInChI=1S/C18H16N4O3S/c23-17-13-21(11-12-22(17)16-8-1-2-9-19-16)26(24,25)15-7-3-5-14-6-4-10-20-18(14)15/h1-10H,11-13H2
InChIKeyVKQYQQLARDAQTD-UHFFFAOYSA-N
XLogP1.67
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-4-quinolin-8-ylsulfonylpiperazin-2-one?
The IUPAC name of 1-pyridin-2-yl-4-quinolin-8-ylsulfonylpiperazin-2-one (CID 134161610) is 1-pyridin-2-yl-4-quinolin-8-ylsulfonylpiperazin-2-one.
What is the SMILES notation for 1-pyridin-2-yl-4-quinolin-8-ylsulfonylpiperazin-2-one?
The canonical SMILES for 1-pyridin-2-yl-4-quinolin-8-ylsulfonylpiperazin-2-one is O=C1CN(S(=O)(=O)c2cccc3cccnc23)CCN1c1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-4-quinolin-8-ylsulfonylpiperazin-2-one?
The InChIKey is VKQYQQLARDAQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c23-17-13-21(11-12-22(17)16-8-1-2-9-19-16)26(24,25)15-7-3-5-14-6-4-10-20-18(14)15/h1-10H,11-13H2.
What are the key properties of 1-pyridin-2-yl-4-quinolin-8-ylsulfonylpiperazin-2-one?
1-pyridin-2-yl-4-quinolin-8-ylsulfonylpiperazin-2-one has a molecular weight of 368.42 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-4-quinolin-8-ylsulfonylpiperazin-2-one is sourced from PubChem (CID 134161610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).