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

C22H25Cl2N5 — CID 90037862

IUPAC3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-propan-2-ylquinoxalin-2-amine
SMILESCC(C)Nc1nc2ccccc2nc1N1CCN(Cc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C22H25Cl2N5/c1-15(2)25-21-22(27-20-6-4-3-5-19(20)26-21)29-11-9-28(10-12-29)14-16-13-17(23)7-8-18(16)24/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,26)
InChIKeySTPKGMVUUWRFIP-UHFFFAOYSA-N
MW430.38 g/mol
LogP5.08
Rot. Bonds5

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

3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-propan-2-ylquinoxalin-2-amine (PubChem CID 90037862) has the molecular formula C22H25Cl2N5 and a molecular weight of 430.38 g/mol. Its IUPAC name is 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-propan-2-ylquinoxalin-2-amine.

Molecular Properties

Compound Name3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-propan-2-ylquinoxalin-2-amine
PubChem CID90037862
Molecular FormulaC22H25Cl2N5
Molecular Weight430.38 g/mol
Exact Mass429.15
IUPAC Name3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-propan-2-ylquinoxalin-2-amine
SMILESCC(C)Nc1nc2ccccc2nc1N1CCN(Cc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C22H25Cl2N5/c1-15(2)25-21-22(27-20-6-4-3-5-19(20)26-21)29-11-9-28(10-12-29)14-16-13-17(23)7-8-18(16)24/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,26)
InChIKeySTPKGMVUUWRFIP-UHFFFAOYSA-N
XLogP5.08
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.38
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-propan-2-ylquinoxalin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Chloro-2-piperazin-1-yl-quinoline
CID 10264015
Ezurpimtrostat
CID 121305180
Vuf-10148
CID 24759623
1-[(2,5-dichlorophenyl)methyl]-7-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
CID 46906624
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)quinolin-2-amine
CID 11511026
2-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)quinazoline Hydrochloride
CID 2901327
2-(2-Chlorophenyl)-4-piperazin-1-ylquinazoline
CID 3232608
6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)quinazolin-4-amine
CID 25178131
6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylquinazolin-4-amine
CID 25178132
N-[(4-aminophenyl)methyl]-6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 25178341
N-Quinolin-2-yl-N''''-(2,3,5-trichloro-benzyl)-propane-1,3-diamine
CID 44392847
3-(Cyclopropylamino)-2-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxaline-6-carbonitrile
CID 90037448

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-propan-2-ylquinoxalin-2-amine?
The IUPAC name of 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-propan-2-ylquinoxalin-2-amine (CID 90037862) is 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-propan-2-ylquinoxalin-2-amine.
What is the SMILES notation for 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-propan-2-ylquinoxalin-2-amine?
The canonical SMILES for 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-propan-2-ylquinoxalin-2-amine is CC(C)Nc1nc2ccccc2nc1N1CCN(Cc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-propan-2-ylquinoxalin-2-amine?
The InChIKey is STPKGMVUUWRFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N5/c1-15(2)25-21-22(27-20-6-4-3-5-19(20)26-21)29-11-9-28(10-12-29)14-16-13-17(23)7-8-18(16)24/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,26).
What are the key properties of 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-propan-2-ylquinoxalin-2-amine?
3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-propan-2-ylquinoxalin-2-amine has a molecular weight of 430.38 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N-propan-2-ylquinoxalin-2-amine is sourced from PubChem (CID 90037862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).