4-[[6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine

C23H27N5O3S — CID 43039496

IUPAC4-[[6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(N2CCN(Cc3cccc4cccnc34)CC2)nc1)N1CCOCC1
InChIInChI=1S/C23H27N5O3S/c29-32(30,28-13-15-31-16-14-28)21-6-7-22(25-17-21)27-11-9-26(10-12-27)18-20-4-1-3-19-5-2-8-24-23(19)20/h1-8,17H,9-16,18H2
InChIKeyPKPMITUJLUMDFW-UHFFFAOYSA-N
MW453.57 g/mol
LogP1.97
Rot. Bonds5

About 4-[[6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine

4-[[6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine (PubChem CID 43039496) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is 4-[[6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
PubChem CID43039496
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC Name4-[[6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(N2CCN(Cc3cccc4cccnc34)CC2)nc1)N1CCOCC1
InChIInChI=1S/C23H27N5O3S/c29-32(30,28-13-15-31-16-14-28)21-6-7-22(25-17-21)27-11-9-26(10-12-27)18-20-4-1-3-19-5-2-8-24-23(19)20/h1-8,17H,9-16,18H2
InChIKeyPKPMITUJLUMDFW-UHFFFAOYSA-N
XLogP1.97
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 43039470
8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 17451460
8-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]quinoline
CID 31864845
2-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 43039484
4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133322499
1-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]indole-2,3-dione
CID 22109144
8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline
CID 18168047
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]phenol
CID 9282198
4-[[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9311875
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide
CID 43037992
4-[[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9186566
8-[[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methyl]quinoline
CID 55598876

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine (CID 43039496) is 4-[[6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine is O=S(=O)(c1ccc(N2CCN(Cc3cccc4cccnc34)CC2)nc1)N1CCOCC1.
What is the InChIKey of 4-[[6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is PKPMITUJLUMDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c29-32(30,28-13-15-31-16-14-28)21-6-7-22(25-17-21)27-11-9-26(10-12-27)18-20-4-1-3-19-5-2-8-24-23(19)20/h1-8,17H,9-16,18H2.
What are the key properties of 4-[[6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
4-[[6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 453.57 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 43039496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).