morpholin-4-yl-[4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]phenyl]methanone

C25H26N4O3 — CID 135300448

IUPACmorpholin-4-yl-[4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]phenyl]methanone
SMILESO=C(c1ccc2ncc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2c1)N1CCCCC1
InChIInChI=1S/C25H26N4O3/c30-24(29-12-14-32-15-13-29)19-6-4-18(5-7-19)23-17-26-21-9-8-20(16-22(21)27-23)25(31)28-10-2-1-3-11-28/h4-9,16-17H,1-3,10-15H2
InChIKeyFXKAITFGSUASPC-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.40
Rot. Bonds3

About morpholin-4-yl-[4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]phenyl]methanone

morpholin-4-yl-[4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]phenyl]methanone (PubChem CID 135300448) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is morpholin-4-yl-[4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]phenyl]methanone
PubChem CID135300448
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Namemorpholin-4-yl-[4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]phenyl]methanone
SMILESO=C(c1ccc2ncc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2c1)N1CCCCC1
InChIInChI=1S/C25H26N4O3/c30-24(29-12-14-32-15-13-29)19-6-4-18(5-7-19)23-17-26-21-9-8-20(16-22(21)27-23)25(31)28-10-2-1-3-11-28/h4-9,16-17H,1-3,10-15H2
InChIKeyFXKAITFGSUASPC-UHFFFAOYSA-N
XLogP3.40
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]phenyl]methanone (CID 135300448) is morpholin-4-yl-[4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]phenyl]methanone is O=C(c1ccc2ncc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2c1)N1CCCCC1.
What is the InChIKey of morpholin-4-yl-[4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]phenyl]methanone?
The InChIKey is FXKAITFGSUASPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-24(29-12-14-32-15-13-29)19-6-4-18(5-7-19)23-17-26-21-9-8-20(16-22(21)27-23)25(31)28-10-2-1-3-11-28/h4-9,16-17H,1-3,10-15H2.
What are the key properties of morpholin-4-yl-[4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]phenyl]methanone?
morpholin-4-yl-[4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]phenyl]methanone has a molecular weight of 430.51 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]phenyl]methanone is sourced from PubChem (CID 135300448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).