4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylquinoline

C25H24N4O2S — CID 73348796

IUPAC4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylquinoline
SMILESCc1ccc(S(=O)(=O)N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C25H24N4O2S/c1-19-9-11-20(12-10-19)32(30,31)29-16-14-28(15-17-29)25-18-24(23-8-4-5-13-26-23)27-22-7-3-2-6-21(22)25/h2-13,18H,14-17H2,1H3
InChIKeyVERDULHGTFVKHY-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.12
Rot. Bonds4

About 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylquinoline

4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylquinoline (PubChem CID 73348796) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylquinoline.

Molecular Properties

Compound Name4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylquinoline
PubChem CID73348796
Molecular FormulaC25H24N4O2S
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC Name4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylquinoline
SMILESCc1ccc(S(=O)(=O)N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C25H24N4O2S/c1-19-9-11-20(12-10-19)32(30,31)29-16-14-28(15-17-29)25-18-24(23-8-4-5-13-26-23)27-22-7-3-2-6-21(22)25/h2-13,18H,14-17H2,1H3
InChIKeyVERDULHGTFVKHY-UHFFFAOYSA-N
XLogP4.12
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylquinoline?
The IUPAC name of 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylquinoline (CID 73348796) is 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylquinoline.
What is the SMILES notation for 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylquinoline?
The canonical SMILES for 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylquinoline is Cc1ccc(S(=O)(=O)N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1.
What is the InChIKey of 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylquinoline?
The InChIKey is VERDULHGTFVKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S/c1-19-9-11-20(12-10-19)32(30,31)29-16-14-28(15-17-29)25-18-24(23-8-4-5-13-26-23)27-22-7-3-2-6-21(22)25/h2-13,18H,14-17H2,1H3.
What are the key properties of 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylquinoline?
4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylquinoline has a molecular weight of 444.56 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylquinoline is sourced from PubChem (CID 73348796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).