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

C23H23N3 — CID 67627091

IUPAC3-methyl-6-(4-phenylpiperidin-1-yl)pyrrolo[1,2-a]quinoxaline
SMILESCc1ccn2c1cnc1c(N3CCC(c4ccccc4)CC3)cccc12
InChIInChI=1S/C23H23N3/c1-17-10-15-26-21-9-5-8-20(23(21)24-16-22(17)26)25-13-11-19(12-14-25)18-6-3-2-4-7-18/h2-10,15-16,19H,11-14H2,1H3
InChIKeyRNTGUMKCZXKSSW-UHFFFAOYSA-N
MW341.46 g/mol
LogP5.18
Rot. Bonds2

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

3-methyl-6-(4-phenylpiperidin-1-yl)pyrrolo[1,2-a]quinoxaline (PubChem CID 67627091) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-methyl-6-(4-phenylpiperidin-1-yl)pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name3-methyl-6-(4-phenylpiperidin-1-yl)pyrrolo[1,2-a]quinoxaline
PubChem CID67627091
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC Name3-methyl-6-(4-phenylpiperidin-1-yl)pyrrolo[1,2-a]quinoxaline
SMILESCc1ccn2c1cnc1c(N3CCC(c4ccccc4)CC3)cccc12
InChIInChI=1S/C23H23N3/c1-17-10-15-26-21-9-5-8-20(23(21)24-16-22(17)26)25-13-11-19(12-14-25)18-6-3-2-4-7-18/h2-10,15-16,19H,11-14H2,1H3
InChIKeyRNTGUMKCZXKSSW-UHFFFAOYSA-N
XLogP5.18
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(4-phenylpiperidin-1-yl)pyridine
CID 137318862
3-chloro-6-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
CID 67625625
3-methyl-6-[(1-methylpiperidin-4-yl)methoxy]pyrrolo[1,2-a]quinoxaline
CID 70069298
2-(4-phenylpiperidin-1-yl)aniline
CID 139916911
3-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
CID 57459476
2-(4-phenylpiperidin-1-yl)benzoic acid
CID 125468631
2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine
CID 136528453
[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]hydrazine
CID 118108204
1-[[2-(4-phenylpiperidin-1-yl)phenyl]methyl]piperazine
CID 156786556
8-methyl-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine
CID 117146223
N-methyl-7-(4-phenylpiperidin-1-yl)-3-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridin-8-amine
CID 130239084
4-(4-phenylpiperidin-1-yl)-1,3-thiazole
CID 175743115

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-phenylpiperidin-1-yl)pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 3-methyl-6-(4-phenylpiperidin-1-yl)pyrrolo[1,2-a]quinoxaline (CID 67627091) is 3-methyl-6-(4-phenylpiperidin-1-yl)pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 3-methyl-6-(4-phenylpiperidin-1-yl)pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 3-methyl-6-(4-phenylpiperidin-1-yl)pyrrolo[1,2-a]quinoxaline is Cc1ccn2c1cnc1c(N3CCC(c4ccccc4)CC3)cccc12.
What is the InChIKey of 3-methyl-6-(4-phenylpiperidin-1-yl)pyrrolo[1,2-a]quinoxaline?
The InChIKey is RNTGUMKCZXKSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-17-10-15-26-21-9-5-8-20(23(21)24-16-22(17)26)25-13-11-19(12-14-25)18-6-3-2-4-7-18/h2-10,15-16,19H,11-14H2,1H3.
What are the key properties of 3-methyl-6-(4-phenylpiperidin-1-yl)pyrrolo[1,2-a]quinoxaline?
3-methyl-6-(4-phenylpiperidin-1-yl)pyrrolo[1,2-a]quinoxaline has a molecular weight of 341.46 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-phenylpiperidin-1-yl)pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 67627091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).