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

C23H25Cl2N5 — CID 90037561

IUPACN-cyclobutyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
SMILESClc1ccc(Cl)c(CN2CCN(c3nc4ccccc4nc3NC3CCC3)CC2)c1
InChIInChI=1S/C23H25Cl2N5/c24-17-8-9-19(25)16(14-17)15-29-10-12-30(13-11-29)23-22(26-18-4-3-5-18)27-20-6-1-2-7-21(20)28-23/h1-2,6-9,14,18H,3-5,10-13,15H2,(H,26,27)
InChIKeyFXKWUUWLXWPOLJ-UHFFFAOYSA-N
MW442.39 g/mol
LogP5.22
Rot. Bonds5

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

N-cyclobutyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine (PubChem CID 90037561) has the molecular formula C23H25Cl2N5 and a molecular weight of 442.39 g/mol. Its IUPAC name is N-cyclobutyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-cyclobutyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
PubChem CID90037561
Molecular FormulaC23H25Cl2N5
Molecular Weight442.39 g/mol
Exact Mass441.15
IUPAC NameN-cyclobutyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
SMILESClc1ccc(Cl)c(CN2CCN(c3nc4ccccc4nc3NC3CCC3)CC2)c1
InChIInChI=1S/C23H25Cl2N5/c24-17-8-9-19(25)16(14-17)15-29-10-12-30(13-11-29)23-22(26-18-4-3-5-18)27-20-6-1-2-7-21(20)28-23/h1-2,6-9,14,18H,3-5,10-13,15H2,(H,26,27)
InChIKeyFXKWUUWLXWPOLJ-UHFFFAOYSA-N
XLogP5.22
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.39
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 172697798
6-bromo-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
CID 90038565
8-chloro-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 127024150
N-cyclopropyl-3-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
CID 90040007
3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-ethoxyethyl)quinoxalin-2-amine
CID 90038696
3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethyl-1,2,4-triazin-3-yl)quinoxalin-2-amine
CID 90039194
3-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine
CID 90039147
3-[4-[(4-bromo-2-methylphenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine
CID 90038351
N-cyclopropyl-3-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118308589
3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-2-(2-fluoroethylamino)quinoxaline-6-carbonitrile
CID 90038226
3-[4-[(3-chloro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 172719877
N-cyclobutyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]quinoxalin-2-amine
CID 118308639

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine?
The IUPAC name of N-cyclobutyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine (CID 90037561) is N-cyclobutyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine.
What is the SMILES notation for N-cyclobutyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine?
The canonical SMILES for N-cyclobutyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine is Clc1ccc(Cl)c(CN2CCN(c3nc4ccccc4nc3NC3CCC3)CC2)c1.
What is the InChIKey of N-cyclobutyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine?
The InChIKey is FXKWUUWLXWPOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N5/c24-17-8-9-19(25)16(14-17)15-29-10-12-30(13-11-29)23-22(26-18-4-3-5-18)27-20-6-1-2-7-21(20)28-23/h1-2,6-9,14,18H,3-5,10-13,15H2,(H,26,27).
What are the key properties of N-cyclobutyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine?
N-cyclobutyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine has a molecular weight of 442.39 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine is sourced from PubChem (CID 90037561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).