(4-morpholin-4-ylsulfonylpiperazin-1-yl)-(2-pyrrolidin-1-ylquinolin-3-yl)methanone

C22H29N5O4S — CID 56515869

IUPAC(4-morpholin-4-ylsulfonylpiperazin-1-yl)-(2-pyrrolidin-1-ylquinolin-3-yl)methanone
SMILESO=C(c1cc2ccccc2nc1N1CCCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C22H29N5O4S/c28-22(25-9-11-26(12-10-25)32(29,30)27-13-15-31-16-14-27)19-17-18-5-1-2-6-20(18)23-21(19)24-7-3-4-8-24/h1-2,5-6,17H,3-4,7-16H2
InChIKeySPYSCEAAUZUABT-UHFFFAOYSA-N
MW459.57 g/mol
LogP1.17
Rot. Bonds4

About (4-morpholin-4-ylsulfonylpiperazin-1-yl)-(2-pyrrolidin-1-ylquinolin-3-yl)methanone

(4-morpholin-4-ylsulfonylpiperazin-1-yl)-(2-pyrrolidin-1-ylquinolin-3-yl)methanone (PubChem CID 56515869) has the molecular formula C22H29N5O4S and a molecular weight of 459.57 g/mol. Its IUPAC name is (4-morpholin-4-ylsulfonylpiperazin-1-yl)-(2-pyrrolidin-1-ylquinolin-3-yl)methanone.

Molecular Properties

Compound Name(4-morpholin-4-ylsulfonylpiperazin-1-yl)-(2-pyrrolidin-1-ylquinolin-3-yl)methanone
PubChem CID56515869
Molecular FormulaC22H29N5O4S
Molecular Weight459.57 g/mol
Exact Mass459.19
IUPAC Name(4-morpholin-4-ylsulfonylpiperazin-1-yl)-(2-pyrrolidin-1-ylquinolin-3-yl)methanone
SMILESO=C(c1cc2ccccc2nc1N1CCCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C22H29N5O4S/c28-22(25-9-11-26(12-10-25)32(29,30)27-13-15-31-16-14-27)19-17-18-5-1-2-6-20(18)23-21(19)24-7-3-4-8-24/h1-2,5-6,17H,3-4,7-16H2
InChIKeySPYSCEAAUZUABT-UHFFFAOYSA-N
XLogP1.17
TPSA86.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylsulfonylpiperazin-1-yl)-(2-pyrrolidin-1-ylquinolin-3-yl)methanone?
The IUPAC name of (4-morpholin-4-ylsulfonylpiperazin-1-yl)-(2-pyrrolidin-1-ylquinolin-3-yl)methanone (CID 56515869) is (4-morpholin-4-ylsulfonylpiperazin-1-yl)-(2-pyrrolidin-1-ylquinolin-3-yl)methanone.
What is the SMILES notation for (4-morpholin-4-ylsulfonylpiperazin-1-yl)-(2-pyrrolidin-1-ylquinolin-3-yl)methanone?
The canonical SMILES for (4-morpholin-4-ylsulfonylpiperazin-1-yl)-(2-pyrrolidin-1-ylquinolin-3-yl)methanone is O=C(c1cc2ccccc2nc1N1CCCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of (4-morpholin-4-ylsulfonylpiperazin-1-yl)-(2-pyrrolidin-1-ylquinolin-3-yl)methanone?
The InChIKey is SPYSCEAAUZUABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4S/c28-22(25-9-11-26(12-10-25)32(29,30)27-13-15-31-16-14-27)19-17-18-5-1-2-6-20(18)23-21(19)24-7-3-4-8-24/h1-2,5-6,17H,3-4,7-16H2.
What are the key properties of (4-morpholin-4-ylsulfonylpiperazin-1-yl)-(2-pyrrolidin-1-ylquinolin-3-yl)methanone?
(4-morpholin-4-ylsulfonylpiperazin-1-yl)-(2-pyrrolidin-1-ylquinolin-3-yl)methanone has a molecular weight of 459.57 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylsulfonylpiperazin-1-yl)-(2-pyrrolidin-1-ylquinolin-3-yl)methanone is sourced from PubChem (CID 56515869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).