3-methyl-6-[(1-methylpiperidin-4-yl)methoxy]pyrrolo[1,2-a]quinoxaline

C19H23N3O — CID 70069298

IUPAC3-methyl-6-[(1-methylpiperidin-4-yl)methoxy]pyrrolo[1,2-a]quinoxaline
SMILESCc1ccn2c1cnc1c(OCC3CCN(C)CC3)cccc12
InChIInChI=1S/C19H23N3O/c1-14-6-11-22-16-4-3-5-18(19(16)20-12-17(14)22)23-13-15-7-9-21(2)10-8-15/h3-6,11-12,15H,7-10,13H2,1-2H3
InChIKeyRRVOWQXUKYXEEH-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.52
Rot. Bonds3

About 3-methyl-6-[(1-methylpiperidin-4-yl)methoxy]pyrrolo[1,2-a]quinoxaline

3-methyl-6-[(1-methylpiperidin-4-yl)methoxy]pyrrolo[1,2-a]quinoxaline (PubChem CID 70069298) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-methyl-6-[(1-methylpiperidin-4-yl)methoxy]pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name3-methyl-6-[(1-methylpiperidin-4-yl)methoxy]pyrrolo[1,2-a]quinoxaline
PubChem CID70069298
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name3-methyl-6-[(1-methylpiperidin-4-yl)methoxy]pyrrolo[1,2-a]quinoxaline
SMILESCc1ccn2c1cnc1c(OCC3CCN(C)CC3)cccc12
InChIInChI=1S/C19H23N3O/c1-14-6-11-22-16-4-3-5-18(19(16)20-12-17(14)22)23-13-15-7-9-21(2)10-8-15/h3-6,11-12,15H,7-10,13H2,1-2H3
InChIKeyRRVOWQXUKYXEEH-UHFFFAOYSA-N
XLogP3.52
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(1-methylpiperidin-4-yl)methoxy]pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 3-methyl-6-[(1-methylpiperidin-4-yl)methoxy]pyrrolo[1,2-a]quinoxaline (CID 70069298) is 3-methyl-6-[(1-methylpiperidin-4-yl)methoxy]pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 3-methyl-6-[(1-methylpiperidin-4-yl)methoxy]pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 3-methyl-6-[(1-methylpiperidin-4-yl)methoxy]pyrrolo[1,2-a]quinoxaline is Cc1ccn2c1cnc1c(OCC3CCN(C)CC3)cccc12.
What is the InChIKey of 3-methyl-6-[(1-methylpiperidin-4-yl)methoxy]pyrrolo[1,2-a]quinoxaline?
The InChIKey is RRVOWQXUKYXEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-6-11-22-16-4-3-5-18(19(16)20-12-17(14)22)23-13-15-7-9-21(2)10-8-15/h3-6,11-12,15H,7-10,13H2,1-2H3.
What are the key properties of 3-methyl-6-[(1-methylpiperidin-4-yl)methoxy]pyrrolo[1,2-a]quinoxaline?
3-methyl-6-[(1-methylpiperidin-4-yl)methoxy]pyrrolo[1,2-a]quinoxaline has a molecular weight of 309.41 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(1-methylpiperidin-4-yl)methoxy]pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 70069298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).