4-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]morpholine

C17H22N4O — CID 172900398

IUPAC4-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]morpholine
SMILESCc1nc2ccccc2nc1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C17H22N4O/c1-13-17(19-16-5-3-2-4-15(16)18-13)21-7-6-14(12-21)20-8-10-22-11-9-20/h2-5,14H,6-12H2,1H3
InChIKeyOJYJBXXBYDZWHJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.85
Rot. Bonds2

About 4-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]morpholine

4-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]morpholine (PubChem CID 172900398) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]morpholine
PubChem CID172900398
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]morpholine
SMILESCc1nc2ccccc2nc1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C17H22N4O/c1-13-17(19-16-5-3-2-4-15(16)18-13)21-7-6-14(12-21)20-8-10-22-11-9-20/h2-5,14H,6-12H2,1H3
InChIKeyOJYJBXXBYDZWHJ-UHFFFAOYSA-N
XLogP1.85
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]morpholine (CID 172900398) is 4-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]morpholine is Cc1nc2ccccc2nc1N1CCC(N2CCOCC2)C1.
What is the InChIKey of 4-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]morpholine?
The InChIKey is OJYJBXXBYDZWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-17(19-16-5-3-2-4-15(16)18-13)21-7-6-14(12-21)20-8-10-22-11-9-20/h2-5,14H,6-12H2,1H3.
What are the key properties of 4-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]morpholine?
4-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]morpholine has a molecular weight of 298.39 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 172900398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).