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

C22H28ClN3 — CID 170156434

IUPAC1-[(3-chlorophenyl)methyl]-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroquinoxaline
SMILESClc1cccc(CN2CCN(CCCN3CCCC3)c3ccccc32)c1
InChIInChI=1S/C22H28ClN3/c23-20-8-5-7-19(17-20)18-26-16-15-25(21-9-1-2-10-22(21)26)14-6-13-24-11-3-4-12-24/h1-2,5,7-10,17H,3-4,6,11-16,18H2
InChIKeyKPPDPJYTWLVXLY-UHFFFAOYSA-N
MW369.94 g/mol
LogP4.65
Rot. Bonds6

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

1-[(3-chlorophenyl)methyl]-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroquinoxaline (PubChem CID 170156434) has the molecular formula C22H28ClN3 and a molecular weight of 369.94 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroquinoxaline
PubChem CID170156434
Molecular FormulaC22H28ClN3
Molecular Weight369.94 g/mol
Exact Mass369.20
IUPAC Name1-[(3-chlorophenyl)methyl]-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroquinoxaline
SMILESClc1cccc(CN2CCN(CCCN3CCCC3)c3ccccc32)c1
InChIInChI=1S/C22H28ClN3/c23-20-8-5-7-19(17-20)18-26-16-15-25(21-9-1-2-10-22(21)26)14-6-13-24-11-3-4-12-24/h1-2,5,7-10,17H,3-4,6,11-16,18H2
InChIKeyKPPDPJYTWLVXLY-UHFFFAOYSA-N
XLogP4.65
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.94
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
1-[(3-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline
CID 170157030
1-[(2-chlorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxaline
CID 170156297
1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol
CID 145435843
2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18885630
1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
CID 82081939
4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline
CID 54961069
1-[(3-chlorophenyl)methyl]-4-methyl-1,4-diazepane
CID 764025
1-(2-bromoethyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 80675337
1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
CID 82085595
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748
1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride
CID 52984150

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroquinoxaline?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroquinoxaline (CID 170156434) is 1-[(3-chlorophenyl)methyl]-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroquinoxaline?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroquinoxaline is Clc1cccc(CN2CCN(CCCN3CCCC3)c3ccccc32)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroquinoxaline?
The InChIKey is KPPDPJYTWLVXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3/c23-20-8-5-7-19(17-20)18-26-16-15-25(21-9-1-2-10-22(21)26)14-6-13-24-11-3-4-12-24/h1-2,5,7-10,17H,3-4,6,11-16,18H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroquinoxaline?
1-[(3-chlorophenyl)methyl]-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroquinoxaline has a molecular weight of 369.94 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroquinoxaline is sourced from PubChem (CID 170156434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).