4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]quinolin-6-yl]sulfonylmorpholine

C24H27ClN4O3S — CID 46283466

IUPAC4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]quinolin-6-yl]sulfonylmorpholine
SMILESCc1ccc(Cl)cc1N1CCN(c2ccc3cc(S(=O)(=O)N4CCOCC4)ccc3n2)CC1
InChIInChI=1S/C24H27ClN4O3S/c1-18-2-4-20(25)17-23(18)27-8-10-28(11-9-27)24-7-3-19-16-21(5-6-22(19)26-24)33(30,31)29-12-14-32-15-13-29/h2-7,16-17H,8-15H2,1H3
InChIKeyUPTFSHSEXKSATB-UHFFFAOYSA-N
MW487.03 g/mol
LogP3.54
Rot. Bonds4

About 4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]quinolin-6-yl]sulfonylmorpholine

4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]quinolin-6-yl]sulfonylmorpholine (PubChem CID 46283466) has the molecular formula C24H27ClN4O3S and a molecular weight of 487.03 g/mol. Its IUPAC name is 4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]quinolin-6-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]quinolin-6-yl]sulfonylmorpholine
PubChem CID46283466
Molecular FormulaC24H27ClN4O3S
Molecular Weight487.03 g/mol
Exact Mass486.15
IUPAC Name4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]quinolin-6-yl]sulfonylmorpholine
SMILESCc1ccc(Cl)cc1N1CCN(c2ccc3cc(S(=O)(=O)N4CCOCC4)ccc3n2)CC1
InChIInChI=1S/C24H27ClN4O3S/c1-18-2-4-20(25)17-23(18)27-8-10-28(11-9-27)24-7-3-19-16-21(5-6-22(19)26-24)33(30,31)29-12-14-32-15-13-29/h2-7,16-17H,8-15H2,1H3
InChIKeyUPTFSHSEXKSATB-UHFFFAOYSA-N
XLogP3.54
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.03
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)morpholine
CID 50806743
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine
CID 1255328
1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 19682893
(3S)-N-[(2-methylphenyl)methyl]-1-(6-morpholin-4-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888441
5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole
CID 20958802
4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonylmorpholine
CID 46088188
1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
CID 900483
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-chloro-5-piperidin-1-ylsulfonylphenyl)methanone
CID 26877578
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 20851639
6-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 7359204
4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen
CID 142983845
4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine
CID 117058420

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]quinolin-6-yl]sulfonylmorpholine?
The IUPAC name of 4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]quinolin-6-yl]sulfonylmorpholine (CID 46283466) is 4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]quinolin-6-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]quinolin-6-yl]sulfonylmorpholine?
The canonical SMILES for 4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]quinolin-6-yl]sulfonylmorpholine is Cc1ccc(Cl)cc1N1CCN(c2ccc3cc(S(=O)(=O)N4CCOCC4)ccc3n2)CC1.
What is the InChIKey of 4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]quinolin-6-yl]sulfonylmorpholine?
The InChIKey is UPTFSHSEXKSATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O3S/c1-18-2-4-20(25)17-23(18)27-8-10-28(11-9-27)24-7-3-19-16-21(5-6-22(19)26-24)33(30,31)29-12-14-32-15-13-29/h2-7,16-17H,8-15H2,1H3.
What are the key properties of 4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]quinolin-6-yl]sulfonylmorpholine?
4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]quinolin-6-yl]sulfonylmorpholine has a molecular weight of 487.03 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]quinolin-6-yl]sulfonylmorpholine is sourced from PubChem (CID 46283466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).