4-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]morpholine

C18H21N5O — CID 141221781

IUPAC4-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]morpholine
SMILESc1ccc2nc(-c3cnn(CCCN4CCOCC4)c3)cnc2c1
InChIInChI=1S/C18H21N5O/c1-2-5-17-16(4-1)19-13-18(21-17)15-12-20-23(14-15)7-3-6-22-8-10-24-11-9-22/h1-2,4-5,12-14H,3,6-11H2
InChIKeyIGBBASXZXMJLSR-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.22
Rot. Bonds5

About 4-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]morpholine

4-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]morpholine (PubChem CID 141221781) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]morpholine
PubChem CID141221781
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]morpholine
SMILESc1ccc2nc(-c3cnn(CCCN4CCOCC4)c3)cnc2c1
InChIInChI=1S/C18H21N5O/c1-2-5-17-16(4-1)19-13-18(21-17)15-12-20-23(14-15)7-3-6-22-8-10-24-11-9-22/h1-2,4-5,12-14H,3,6-11H2
InChIKeyIGBBASXZXMJLSR-UHFFFAOYSA-N
XLogP2.22
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]morpholine?
The IUPAC name of 4-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]morpholine (CID 141221781) is 4-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]morpholine is c1ccc2nc(-c3cnn(CCCN4CCOCC4)c3)cnc2c1.
What is the InChIKey of 4-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]morpholine?
The InChIKey is IGBBASXZXMJLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-2-5-17-16(4-1)19-13-18(21-17)15-12-20-23(14-15)7-3-6-22-8-10-24-11-9-22/h1-2,4-5,12-14H,3,6-11H2.
What are the key properties of 4-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]morpholine?
4-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]morpholine has a molecular weight of 323.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]morpholine is sourced from PubChem (CID 141221781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).