8-chlorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]

C15H16ClN3 — CID 50742421

IUPAC8-chlorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
SMILESClc1ccc2c(c1)-n1cccc1C1(CCNCC1)N2
InChIInChI=1S/C15H16ClN3/c16-11-3-4-12-13(10-11)19-9-1-2-14(19)15(18-12)5-7-17-8-6-15/h1-4,9-10,17-18H,5-8H2
InChIKeyQETAJVVXEBGNHZ-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.13
Rot. Bonds

About 8-chlorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]

8-chlorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] (PubChem CID 50742421) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 8-chlorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine].

Molecular Properties

Compound Name8-chlorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
PubChem CID50742421
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name8-chlorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
SMILESClc1ccc2c(c1)-n1cccc1C1(CCNCC1)N2
InChIInChI=1S/C15H16ClN3/c16-11-3-4-12-13(10-11)19-9-1-2-14(19)15(18-12)5-7-17-8-6-15/h1-4,9-10,17-18H,5-8H2
InChIKeyQETAJVVXEBGNHZ-UHFFFAOYSA-N
XLogP3.13
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chlorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The IUPAC name of 8-chlorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] (CID 50742421) is 8-chlorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine].
What is the SMILES notation for 8-chlorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The canonical SMILES for 8-chlorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] is Clc1ccc2c(c1)-n1cccc1C1(CCNCC1)N2.
What is the InChIKey of 8-chlorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The InChIKey is QETAJVVXEBGNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c16-11-3-4-12-13(10-11)19-9-1-2-14(19)15(18-12)5-7-17-8-6-15/h1-4,9-10,17-18H,5-8H2.
What are the key properties of 8-chlorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
8-chlorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] has a molecular weight of 273.77 g/mol, XLogP of 3.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chlorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] is sourced from PubChem (CID 50742421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).