N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methylquinoxalin-2-amine

C23H25Cl2N5 — CID 166630998

IUPACN-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methylquinoxalin-2-amine
SMILESCc1ccc2nc(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)c(NC3CC3)nc2c1
InChIInChI=1S/C23H25Cl2N5/c1-15-2-7-20-21(12-15)27-22(26-18-4-5-18)23(28-20)30-10-8-29(9-11-30)14-16-13-17(24)3-6-19(16)25/h2-3,6-7,12-13,18H,4-5,8-11,14H2,1H3,(H,26,27)
InChIKeyAHJDUNHFLKSMLO-UHFFFAOYSA-N
MW442.39 g/mol
LogP5.14
Rot. Bonds5

About N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methylquinoxalin-2-amine

N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methylquinoxalin-2-amine (PubChem CID 166630998) has the molecular formula C23H25Cl2N5 and a molecular weight of 442.39 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methylquinoxalin-2-amine
PubChem CID166630998
Molecular FormulaC23H25Cl2N5
Molecular Weight442.39 g/mol
Exact Mass441.15
IUPAC NameN-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methylquinoxalin-2-amine
SMILESCc1ccc2nc(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)c(NC3CC3)nc2c1
InChIInChI=1S/C23H25Cl2N5/c1-15-2-7-20-21(12-15)27-22(26-18-4-5-18)23(28-20)30-10-8-29(9-11-30)14-16-13-17(24)3-6-19(16)25/h2-3,6-7,12-13,18H,4-5,8-11,14H2,1H3,(H,26,27)
InChIKeyAHJDUNHFLKSMLO-UHFFFAOYSA-N
XLogP5.14
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 ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methylquinoxalin-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

N-[(4-aminophenyl)methyl]-6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 25178341
3-(Cyclopropylamino)-2-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxaline-6-carbonitrile
CID 90037448
N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118308572
N-cyclopropyl-2-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-3-amine
CID 118308625
2-(cyclopropylamino)-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N,N-dimethylquinoxaline-6-carboxamide
CID 166626675
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-N-(3-chloro-4-fluorophenyl)-4-N-[(1R)-1-cyclopropylethyl]-8-piperazin-1-ylquinazoline-2,4-diamine
CID 142474310
7-Chloro-2-(ethylamino)-3-[2-(4-methylpiperazin-1-yl)ethylamino]quinoxaline-6-carbonitrile
CID 56952333
6-chloro-2-N,3-N-diethyl-7-hex-1-ynylquinoxaline-2,3-diamine
CID 66981031
6-chloro-7-(2-cyclopropylethynyl)-2-N,3-N-diethylquinoxaline-2,3-diamine
CID 66981032
6-but-1-ynyl-7-chloro-2-N,3-N-diethylquinoxaline-2,3-diamine
CID 66981056

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methylquinoxalin-2-amine?
The IUPAC name of N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methylquinoxalin-2-amine (CID 166630998) is N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methylquinoxalin-2-amine.
What is the SMILES notation for N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methylquinoxalin-2-amine?
The canonical SMILES for N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methylquinoxalin-2-amine is Cc1ccc2nc(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)c(NC3CC3)nc2c1.
What is the InChIKey of N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methylquinoxalin-2-amine?
The InChIKey is AHJDUNHFLKSMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N5/c1-15-2-7-20-21(12-15)27-22(26-18-4-5-18)23(28-20)30-10-8-29(9-11-30)14-16-13-17(24)3-6-19(16)25/h2-3,6-7,12-13,18H,4-5,8-11,14H2,1H3,(H,26,27).
What are the key properties of N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methylquinoxalin-2-amine?
N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methylquinoxalin-2-amine has a molecular weight of 442.39 g/mol, XLogP of 5.14, 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-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methylquinoxalin-2-amine is sourced from PubChem (CID 166630998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).