1-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroquinoxaline

C16H25N3 — CID 120902163

IUPAC1-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroquinoxaline
SMILESCCN1CCN(CC2(C)CCNC2)c2ccccc21
InChIInChI=1S/C16H25N3/c1-3-18-10-11-19(13-16(2)8-9-17-12-16)15-7-5-4-6-14(15)18/h4-7,17H,3,8-13H2,1-2H3
InChIKeyCYUXDBIVAUPGEY-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.33
Rot. Bonds3

About 1-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroquinoxaline

1-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroquinoxaline (PubChem CID 120902163) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroquinoxaline
PubChem CID120902163
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroquinoxaline
SMILESCCN1CCN(CC2(C)CCNC2)c2ccccc21
InChIInChI=1S/C16H25N3/c1-3-18-10-11-19(13-16(2)8-9-17-12-16)15-7-5-4-6-14(15)18/h4-7,17H,3,8-13H2,1-2H3
InChIKeyCYUXDBIVAUPGEY-UHFFFAOYSA-N
XLogP2.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole
CID 120902173
10-[(3-methylpyrrolidin-3-yl)methyl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrochloride
CID 120905032
2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole
CID 63143249
1-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-2,3-dihydroindole
CID 120904397
6-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline
CID 63142917
7-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline
CID 120902138
3-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3-phenylpyrrolidine
CID 120903903
1-[(2-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
CID 120898158
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(2-nitrophenyl)piperazine;hydrochloride
CID 120897398
1-(2,3-difluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
CID 120900542
3-benzyl-3-methylpyrrolidine
CID 58254769
methyl 1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole-5-carboxylate;hydrochloride
CID 120902610

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroquinoxaline?
The IUPAC name of 1-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroquinoxaline (CID 120902163) is 1-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroquinoxaline?
The canonical SMILES for 1-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroquinoxaline is CCN1CCN(CC2(C)CCNC2)c2ccccc21.
What is the InChIKey of 1-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroquinoxaline?
The InChIKey is CYUXDBIVAUPGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-3-18-10-11-19(13-16(2)8-9-17-12-16)15-7-5-4-6-14(15)18/h4-7,17H,3,8-13H2,1-2H3.
What are the key properties of 1-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroquinoxaline?
1-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroquinoxaline has a molecular weight of 259.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroquinoxaline is sourced from PubChem (CID 120902163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).