5'-propan-2-ylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]

C18H23N3 — CID 53213553

IUPAC5'-propan-2-ylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]
SMILESCC(C)N1c2ccccc2-n2cccc2C12CCNCC2
InChIInChI=1S/C18H23N3/c1-14(2)21-16-7-4-3-6-15(16)20-13-5-8-17(20)18(21)9-11-19-12-10-18/h3-8,13-14,19H,9-12H2,1-2H3
InChIKeyRWBWEGCAUYFXRR-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.28
Rot. Bonds1

About 5'-propan-2-ylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]

5'-propan-2-ylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline] (PubChem CID 53213553) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 5'-propan-2-ylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline].

Molecular Properties

Compound Name5'-propan-2-ylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]
PubChem CID53213553
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name5'-propan-2-ylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]
SMILESCC(C)N1c2ccccc2-n2cccc2C12CCNCC2
InChIInChI=1S/C18H23N3/c1-14(2)21-16-7-4-3-6-15(16)20-13-5-8-17(20)18(21)9-11-19-12-10-18/h3-8,13-14,19H,9-12H2,1-2H3
InChIKeyRWBWEGCAUYFXRR-UHFFFAOYSA-N
XLogP3.28
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5'-propan-2-ylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]?
The IUPAC name of 5'-propan-2-ylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline] (CID 53213553) is 5'-propan-2-ylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline].
What is the SMILES notation for 5'-propan-2-ylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]?
The canonical SMILES for 5'-propan-2-ylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline] is CC(C)N1c2ccccc2-n2cccc2C12CCNCC2.
What is the InChIKey of 5'-propan-2-ylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]?
The InChIKey is RWBWEGCAUYFXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-14(2)21-16-7-4-3-6-15(16)20-13-5-8-17(20)18(21)9-11-19-12-10-18/h3-8,13-14,19H,9-12H2,1-2H3.
What are the key properties of 5'-propan-2-ylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]?
5'-propan-2-ylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline] has a molecular weight of 281.40 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-propan-2-ylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline] is sourced from PubChem (CID 53213553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).