1-[(2-chlorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxaline

C21H26ClN3 — CID 170156297

IUPAC1-[(2-chlorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxaline
SMILESClc1ccccc1CN1CCN(CCN2CCCC2)c2ccccc21
InChIInChI=1S/C21H26ClN3/c22-19-8-2-1-7-18(19)17-25-16-15-24(14-13-23-11-5-6-12-23)20-9-3-4-10-21(20)25/h1-4,7-10H,5-6,11-17H2
InChIKeyASEUJGHHSMKLSB-UHFFFAOYSA-N
MW355.91 g/mol
LogP4.26
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxaline

1-[(2-chlorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxaline (PubChem CID 170156297) has the molecular formula C21H26ClN3 and a molecular weight of 355.91 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxaline
PubChem CID170156297
Molecular FormulaC21H26ClN3
Molecular Weight355.91 g/mol
Exact Mass355.18
IUPAC Name1-[(2-chlorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxaline
SMILESClc1ccccc1CN1CCN(CCN2CCCC2)c2ccccc21
InChIInChI=1S/C21H26ClN3/c22-19-8-2-1-7-18(19)17-25-16-15-24(14-13-23-11-5-6-12-23)20-9-3-4-10-21(20)25/h1-4,7-10H,5-6,11-17H2
InChIKeyASEUJGHHSMKLSB-UHFFFAOYSA-N
XLogP4.26
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methyl]azepane
CID 17017924
1-[(3-chlorophenyl)methyl]-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroquinoxaline
CID 170156434
1-[(2-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline
CID 170155382
2-chloro-6-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]phenol
CID 115958889
1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole
CID 54806650
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propanenitrile
CID 54856451
1-[2-[3-[(2-chlorophenyl)methyl]-1,5-dihydro-1,2,4-triazol-4-yl]ethyl]piperidine
CID 142678380
1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one
CID 110361424
N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 110688132
1-[(2-chlorophenyl)methyl]-3-methylimidazolidine
CID 129042674
4-chloro-3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]aniline
CID 63778013

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxaline?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxaline (CID 170156297) is 1-[(2-chlorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxaline?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxaline is Clc1ccccc1CN1CCN(CCN2CCCC2)c2ccccc21.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxaline?
The InChIKey is ASEUJGHHSMKLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3/c22-19-8-2-1-7-18(19)17-25-16-15-24(14-13-23-11-5-6-12-23)20-9-3-4-10-21(20)25/h1-4,7-10H,5-6,11-17H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxaline?
1-[(2-chlorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxaline has a molecular weight of 355.91 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxaline is sourced from PubChem (CID 170156297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).