7-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-phenylquinoxaline

C21H23N3 — CID 10403546

IUPAC7-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-phenylquinoxaline
SMILESC[C@@H]1CCCN1CCc1ccc2ncc(-c3ccccc3)nc2c1
InChIInChI=1S/C21H23N3/c1-16-6-5-12-24(16)13-11-17-9-10-19-20(14-17)23-21(15-22-19)18-7-3-2-4-8-18/h2-4,7-10,14-16H,5-6,11-13H2,1H3/t16-/m1/s1
InChIKeyFTZQBDQZFRQAFW-MRXNPFEDSA-N
MW317.44 g/mol
LogP4.32
Rot. Bonds4

About 7-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-phenylquinoxaline

7-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-phenylquinoxaline (PubChem CID 10403546) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 7-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-phenylquinoxaline.

Molecular Properties

Compound Name7-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-phenylquinoxaline
PubChem CID10403546
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name7-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-phenylquinoxaline
SMILESC[C@@H]1CCCN1CCc1ccc2ncc(-c3ccccc3)nc2c1
InChIInChI=1S/C21H23N3/c1-16-6-5-12-24(16)13-11-17-9-10-19-20(14-17)23-21(15-22-19)18-7-3-2-4-8-18/h2-4,7-10,14-16H,5-6,11-13H2,1H3/t16-/m1/s1
InChIKeyFTZQBDQZFRQAFW-MRXNPFEDSA-N
XLogP4.32
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-3-pyridinyl)-6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinoline
CID 87964253
6-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-3-ylquinazoline
CID 11723421
2-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
CID 11618861
(2R)-2-methyl-1-[2-[6-(4-methylphenyl)naphthalen-2-yl]ethyl]pyrrolidine
CID 11602364
2-methyl-3-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinolin-2-yl]-1,8-naphthyridine
CID 11574500
2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
CID 25156750
3-chloro-6-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]pyridazine
CID 76529530
2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]-1,3-thiazole
CID 52917809
4-[2-(2-methylpyrrolidin-1-yl)ethyl]benzoic acid
CID 79680062
5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole
CID 67774789
4-methyl-5-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]thiadiazole
CID 11633172
2-methyl-3-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]phenyl]propanoic acid
CID 166770247

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-phenylquinoxaline?
The IUPAC name of 7-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-phenylquinoxaline (CID 10403546) is 7-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-phenylquinoxaline.
What is the SMILES notation for 7-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-phenylquinoxaline?
The canonical SMILES for 7-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-phenylquinoxaline is C[C@@H]1CCCN1CCc1ccc2ncc(-c3ccccc3)nc2c1.
What is the InChIKey of 7-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-phenylquinoxaline?
The InChIKey is FTZQBDQZFRQAFW-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N3/c1-16-6-5-12-24(16)13-11-17-9-10-19-20(14-17)23-21(15-22-19)18-7-3-2-4-8-18/h2-4,7-10,14-16H,5-6,11-13H2,1H3/t16-/m1/s1.
What are the key properties of 7-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-phenylquinoxaline?
7-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-phenylquinoxaline has a molecular weight of 317.44 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-phenylquinoxaline is sourced from PubChem (CID 10403546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).