3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-ethoxyethyl)quinoxalin-2-amine

C23H27Cl2N5O — CID 90038696

IUPAC3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-ethoxyethyl)quinoxalin-2-amine
SMILESCCOCCNc1nc2ccccc2nc1N1CCN(Cc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C23H27Cl2N5O/c1-2-31-14-9-26-22-23(28-21-6-4-3-5-20(21)27-22)30-12-10-29(11-13-30)16-17-15-18(24)7-8-19(17)25/h3-8,15H,2,9-14,16H2,1H3,(H,26,27)
InChIKeyZLTWSXLZENBVJH-UHFFFAOYSA-N
MW460.41 g/mol
LogP4.71
Rot. Bonds8

About 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-ethoxyethyl)quinoxalin-2-amine

3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-ethoxyethyl)quinoxalin-2-amine (PubChem CID 90038696) has the molecular formula C23H27Cl2N5O and a molecular weight of 460.41 g/mol. Its IUPAC name is 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-ethoxyethyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-ethoxyethyl)quinoxalin-2-amine
PubChem CID90038696
Molecular FormulaC23H27Cl2N5O
Molecular Weight460.41 g/mol
Exact Mass459.16
IUPAC Name3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-ethoxyethyl)quinoxalin-2-amine
SMILESCCOCCNc1nc2ccccc2nc1N1CCN(Cc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C23H27Cl2N5O/c1-2-31-14-9-26-22-23(28-21-6-4-3-5-20(21)27-22)30-12-10-29(11-13-30)16-17-15-18(24)7-8-19(17)25/h3-8,15H,2,9-14,16H2,1H3,(H,26,27)
InChIKeyZLTWSXLZENBVJH-UHFFFAOYSA-N
XLogP4.71
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-N-(2-morpholinoethyl)quinoxalin-2-amine
CID 11624425
3-(Cyclopropylamino)-2-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxaline-6-carbonitrile
CID 90037448
2-(4-chlorophenyl)-N-[2-(4-morpholinyl)ethyl]-4-quinazolinamine
CID 1181447
N-[2-(2-chlorophenyl)ethyl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide
CID 16024940
3-(4-chlorobenzyl)-N-(2-morpholinoethyl)quinoxalin-2-amine
CID 44409441
3-benzyl-6,7-dichloro-N-(2-morpholinoethyl)quinoxalin-2-amine
CID 44409442
4-(3-Phenylquinoxalin-2-yl)morpholine
CID 646980
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 3234979
N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-fluoroquinoxalin-2-amine
CID 90038708
N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
CID 90038896
2-(Cyclopropylamino)-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxaline-6-carbonitrile
CID 90038545
N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-6,7-difluoroquinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 127024418

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-ethoxyethyl)quinoxalin-2-amine?
The IUPAC name of 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-ethoxyethyl)quinoxalin-2-amine (CID 90038696) is 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-ethoxyethyl)quinoxalin-2-amine.
What is the SMILES notation for 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-ethoxyethyl)quinoxalin-2-amine?
The canonical SMILES for 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-ethoxyethyl)quinoxalin-2-amine is CCOCCNc1nc2ccccc2nc1N1CCN(Cc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-ethoxyethyl)quinoxalin-2-amine?
The InChIKey is ZLTWSXLZENBVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N5O/c1-2-31-14-9-26-22-23(28-21-6-4-3-5-20(21)27-22)30-12-10-29(11-13-30)16-17-15-18(24)7-8-19(17)25/h3-8,15H,2,9-14,16H2,1H3,(H,26,27).
What are the key properties of 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-ethoxyethyl)quinoxalin-2-amine?
3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-ethoxyethyl)quinoxalin-2-amine has a molecular weight of 460.41 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-ethoxyethyl)quinoxalin-2-amine is sourced from PubChem (CID 90038696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).