2-[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]quinoxaline

C20H21N3 — CID 97015354

IUPAC2-[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]quinoxaline
SMILESc1ccc(CC[C@H]2CCCN2c2cnc3ccccc3n2)cc1
InChIInChI=1S/C20H21N3/c1-2-7-16(8-3-1)12-13-17-9-6-14-23(17)20-15-21-18-10-4-5-11-19(18)22-20/h1-5,7-8,10-11,15,17H,6,9,12-14H2/t17-/m1/s1
InChIKeyHEBWQBKNRHHKBS-QGZVFWFLSA-N
MW303.41 g/mol
LogP4.23
Rot. Bonds4

About 2-[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]quinoxaline

2-[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]quinoxaline (PubChem CID 97015354) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]quinoxaline
PubChem CID97015354
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name2-[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]quinoxaline
SMILESc1ccc(CC[C@H]2CCCN2c2cnc3ccccc3n2)cc1
InChIInChI=1S/C20H21N3/c1-2-7-16(8-3-1)12-13-17-9-6-14-23(17)20-15-21-18-10-4-5-11-19(18)22-20/h1-5,7-8,10-11,15,17H,6,9,12-14H2/t17-/m1/s1
InChIKeyHEBWQBKNRHHKBS-QGZVFWFLSA-N
XLogP4.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(bromomethyl)azepan-1-yl]quinoxaline
CID 116638719
N-[(1-quinoxalin-2-ylpyrrolidin-2-yl)methyl]ethanamine
CID 55090959
1-phenyl-2-(2-phenylethyl)pyrrolidine
CID 10922989
2-[2-(3-phenylpropyl)pyrrolidin-1-yl]pyridine
CID 133377119
2-[2-(3-chloropropyl)pyrrolidin-1-yl]quinoline
CID 63390155
2-[2-(2-phenylethyl)pyrrolidin-1-yl]-3H-quinazolin-4-one
CID 137268434
2-[2-(2-bromoethyl)pyrrolidin-1-yl]quinoline
CID 112748091
[1-[6-[2-(2-phenylethyl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133406867
2-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]pyrimidine
CID 110095085
2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinoxaline
CID 95342310
4-phenyl-2-[2-(2-phenylethyl)piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 110167536
3-methyl-6-[2-(2-phenylethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133406852

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]quinoxaline?
The IUPAC name of 2-[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]quinoxaline (CID 97015354) is 2-[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]quinoxaline.
What is the SMILES notation for 2-[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]quinoxaline?
The canonical SMILES for 2-[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]quinoxaline is c1ccc(CC[C@H]2CCCN2c2cnc3ccccc3n2)cc1.
What is the InChIKey of 2-[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]quinoxaline?
The InChIKey is HEBWQBKNRHHKBS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N3/c1-2-7-16(8-3-1)12-13-17-9-6-14-23(17)20-15-21-18-10-4-5-11-19(18)22-20/h1-5,7-8,10-11,15,17H,6,9,12-14H2/t17-/m1/s1.
What are the key properties of 2-[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]quinoxaline?
2-[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]quinoxaline has a molecular weight of 303.41 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]quinoxaline is sourced from PubChem (CID 97015354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).