morpholin-4-yl-[4-(3-quinolin-3-ylpropyl)piperazin-1-yl]methanone

C21H28N4O2 — CID 24733895

IUPACmorpholin-4-yl-[4-(3-quinolin-3-ylpropyl)piperazin-1-yl]methanone
SMILESO=C(N1CCOCC1)N1CCN(CCCc2cnc3ccccc3c2)CC1
InChIInChI=1S/C21H28N4O2/c26-21(25-12-14-27-15-13-25)24-10-8-23(9-11-24)7-3-4-18-16-19-5-1-2-6-20(19)22-17-18/h1-2,5-6,16-17H,3-4,7-15H2
InChIKeyORCXNZPKZCKRAB-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.24
Rot. Bonds4

About morpholin-4-yl-[4-(3-quinolin-3-ylpropyl)piperazin-1-yl]methanone

morpholin-4-yl-[4-(3-quinolin-3-ylpropyl)piperazin-1-yl]methanone (PubChem CID 24733895) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is morpholin-4-yl-[4-(3-quinolin-3-ylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-(3-quinolin-3-ylpropyl)piperazin-1-yl]methanone
PubChem CID24733895
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Namemorpholin-4-yl-[4-(3-quinolin-3-ylpropyl)piperazin-1-yl]methanone
SMILESO=C(N1CCOCC1)N1CCN(CCCc2cnc3ccccc3c2)CC1
InChIInChI=1S/C21H28N4O2/c26-21(25-12-14-27-15-13-25)24-10-8-23(9-11-24)7-3-4-18-16-19-5-1-2-6-20(19)22-17-18/h1-2,5-6,16-17H,3-4,7-15H2
InChIKeyORCXNZPKZCKRAB-UHFFFAOYSA-N
XLogP2.24
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-(3-quinolin-3-ylpropyl)piperazin-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[4-(3-quinolin-3-ylpropyl)piperazin-1-yl]methanone (CID 24733895) is morpholin-4-yl-[4-(3-quinolin-3-ylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-(3-quinolin-3-ylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[4-(3-quinolin-3-ylpropyl)piperazin-1-yl]methanone is O=C(N1CCOCC1)N1CCN(CCCc2cnc3ccccc3c2)CC1.
What is the InChIKey of morpholin-4-yl-[4-(3-quinolin-3-ylpropyl)piperazin-1-yl]methanone?
The InChIKey is ORCXNZPKZCKRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-21(25-12-14-27-15-13-25)24-10-8-23(9-11-24)7-3-4-18-16-19-5-1-2-6-20(19)22-17-18/h1-2,5-6,16-17H,3-4,7-15H2.
What are the key properties of morpholin-4-yl-[4-(3-quinolin-3-ylpropyl)piperazin-1-yl]methanone?
morpholin-4-yl-[4-(3-quinolin-3-ylpropyl)piperazin-1-yl]methanone has a molecular weight of 368.48 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-(3-quinolin-3-ylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 24733895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).