2-(3-pyrrolidin-1-ylphenyl)quinoxaline

C18H17N3 — CID 168513067

IUPAC2-(3-pyrrolidin-1-ylphenyl)quinoxaline
SMILESc1cc(-c2cnc3ccccc3n2)cc(N2CCCC2)c1
InChIInChI=1S/C18H17N3/c1-2-9-17-16(8-1)19-13-18(20-17)14-6-5-7-15(12-14)21-10-3-4-11-21/h1-2,5-9,12-13H,3-4,10-11H2
InChIKeyMORWBHJVVCRKPU-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.90
Rot. Bonds2

About 2-(3-pyrrolidin-1-ylphenyl)quinoxaline

2-(3-pyrrolidin-1-ylphenyl)quinoxaline (PubChem CID 168513067) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-(3-pyrrolidin-1-ylphenyl)quinoxaline.

Molecular Properties

Compound Name2-(3-pyrrolidin-1-ylphenyl)quinoxaline
PubChem CID168513067
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name2-(3-pyrrolidin-1-ylphenyl)quinoxaline
SMILESc1cc(-c2cnc3ccccc3n2)cc(N2CCCC2)c1
InChIInChI=1S/C18H17N3/c1-2-9-17-16(8-1)19-13-18(20-17)14-6-5-7-15(12-14)21-10-3-4-11-21/h1-2,5-9,12-13H,3-4,10-11H2
InChIKeyMORWBHJVVCRKPU-UHFFFAOYSA-N
XLogP3.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(azepan-1-yl)-3-nitrophenyl]quinoxaline
CID 2913551
2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline
CID 161236708
3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]aniline
CID 166992967
2-(3-pyrrolidin-1-ylphenyl)pyrimidine
CID 168513243
(3-quinoxalin-2-ylphenyl)methanamine
CID 174907322
2-methoxy-6-(3-pyrrolidin-1-ylphenyl)pyridine
CID 168513130
4-(azepan-1-yl)-5-(4-quinoxalin-2-ylphenoxy)benzene-1,2-dicarbonitrile
CID 9498491
2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(3-quinoxalin-2-ylphenyl)acetamide
CID 123722516
tert-butyl-dimethyl-[[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]methoxy]silane
CID 169092397
cyclohexyl-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
CID 141340830
3-(3-piperidin-1-ylphenyl)pyridine
CID 166240155
6-(3-pyrrolidin-1-ylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
CID 168514834

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-1-ylphenyl)quinoxaline?
The IUPAC name of 2-(3-pyrrolidin-1-ylphenyl)quinoxaline (CID 168513067) is 2-(3-pyrrolidin-1-ylphenyl)quinoxaline.
What is the SMILES notation for 2-(3-pyrrolidin-1-ylphenyl)quinoxaline?
The canonical SMILES for 2-(3-pyrrolidin-1-ylphenyl)quinoxaline is c1cc(-c2cnc3ccccc3n2)cc(N2CCCC2)c1.
What is the InChIKey of 2-(3-pyrrolidin-1-ylphenyl)quinoxaline?
The InChIKey is MORWBHJVVCRKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-2-9-17-16(8-1)19-13-18(20-17)14-6-5-7-15(12-14)21-10-3-4-11-21/h1-2,5-9,12-13H,3-4,10-11H2.
What are the key properties of 2-(3-pyrrolidin-1-ylphenyl)quinoxaline?
2-(3-pyrrolidin-1-ylphenyl)quinoxaline has a molecular weight of 275.36 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-1-ylphenyl)quinoxaline is sourced from PubChem (CID 168513067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).