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

C22H23Cl2N5 — CID 90040007

IUPACN-cyclopropyl-3-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
SMILESClc1cc(Cl)cc(CN2CCN(c3nc4ccccc4nc3NC3CC3)CC2)c1
InChIInChI=1S/C22H23Cl2N5/c23-16-11-15(12-17(24)13-16)14-28-7-9-29(10-8-28)22-21(25-18-5-6-18)26-19-3-1-2-4-20(19)27-22/h1-4,11-13,18H,5-10,14H2,(H,25,26)
InChIKeyGWXGGMGSTBHURU-UHFFFAOYSA-N
MW428.37 g/mol
LogP4.83
Rot. Bonds5

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

N-cyclopropyl-3-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine (PubChem CID 90040007) has the molecular formula C22H23Cl2N5 and a molecular weight of 428.37 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
PubChem CID90040007
Molecular FormulaC22H23Cl2N5
Molecular Weight428.37 g/mol
Exact Mass427.13
IUPAC NameN-cyclopropyl-3-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
SMILESClc1cc(Cl)cc(CN2CCN(c3nc4ccccc4nc3NC3CC3)CC2)c1
InChIInChI=1S/C22H23Cl2N5/c23-16-11-15(12-17(24)13-16)14-28-7-9-29(10-8-28)22-21(25-18-5-6-18)26-19-3-1-2-4-20(19)27-22/h1-4,11-13,18H,5-10,14H2,(H,25,26)
InChIKeyGWXGGMGSTBHURU-UHFFFAOYSA-N
XLogP4.83
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
CID 90037561
3-[4-[(4-bromo-2-methylphenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine
CID 90038351
3-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine
CID 90039147
3-[4-[(3-chloro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 172719877
N-cyclopropyl-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 73050885
4-[[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]methyl]benzonitrile;2,2,2-trifluoroacetic acid
CID 172712720
6-bromo-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
CID 90038565
N-cyclopropyl-3-[4-[(3-propan-2-ylphenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 172841840
N-cyclohexyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 172697798
3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyridin-3-ylquinoxalin-2-amine
CID 90037613
3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-pyrimidin-5-ylquinoxalin-2-amine
CID 90037579
N-cyclopropyl-3-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118308589

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine?
The IUPAC name of N-cyclopropyl-3-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine (CID 90040007) is N-cyclopropyl-3-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine.
What is the SMILES notation for N-cyclopropyl-3-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine?
The canonical SMILES for N-cyclopropyl-3-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine is Clc1cc(Cl)cc(CN2CCN(c3nc4ccccc4nc3NC3CC3)CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine?
The InChIKey is GWXGGMGSTBHURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5/c23-16-11-15(12-17(24)13-16)14-28-7-9-29(10-8-28)22-21(25-18-5-6-18)26-19-3-1-2-4-20(19)27-22/h1-4,11-13,18H,5-10,14H2,(H,25,26).
What are the key properties of N-cyclopropyl-3-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine?
N-cyclopropyl-3-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine has a molecular weight of 428.37 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine is sourced from PubChem (CID 90040007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).