N-cyclopropyl-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid

C25H28F3N5O2 — CID 73050885

IUPACN-cyclopropyl-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid
SMILESCc1cccc(CN2CCN(c3nc4ccccc4nc3NC3CC3)CC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H27N5.C2HF3O2/c1-17-5-4-6-18(15-17)16-27-11-13-28(14-12-27)23-22(24-19-9-10-19)25-20-7-2-3-8-21(20)26-23;3-2(4,5)1(6)7/h2-8,15,19H,9-14,16H2,1H3,(H,24,25);(H,6,7)
InChIKeyTXZSWQSUXNFHFL-UHFFFAOYSA-N
MW487.53 g/mol
LogP4.47
Rot. Bonds5

About N-cyclopropyl-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid

N-cyclopropyl-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 73050885) has the molecular formula C25H28F3N5O2 and a molecular weight of 487.53 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID73050885
Molecular FormulaC25H28F3N5O2
Molecular Weight487.53 g/mol
Exact Mass487.22
IUPAC NameN-cyclopropyl-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid
SMILESCc1cccc(CN2CCN(c3nc4ccccc4nc3NC3CC3)CC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H27N5.C2HF3O2/c1-17-5-4-6-18(15-17)16-27-11-13-28(14-12-27)23-22(24-19-9-10-19)25-20-7-2-3-8-21(20)26-23;3-2(4,5)1(6)7/h2-8,15,19H,9-14,16H2,1H3,(H,24,25);(H,6,7)
InChIKeyTXZSWQSUXNFHFL-UHFFFAOYSA-N
XLogP4.47
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-cyclopropyl-3-[4-[(3-propan-2-ylphenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 172841840
3-[4-[(3-chloro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 172719877
4-[[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]methyl]benzonitrile;2,2,2-trifluoroacetic acid
CID 172712720
3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)quinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 127024389
N-cyclopropyl-3-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
CID 127024283
N-cyclohexyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 172697798
N-cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-3-amine;2,2,2-trifluoroacetic acid
CID 127024455
N-cyclopropyl-3-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
CID 127024728
3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(4-propan-2-yloxyphenyl)quinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 172772216
3-[4-[(4-bromo-2-methylphenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine
CID 90038351
[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 90037347
3-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine
CID 90039147

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclopropyl-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid (CID 73050885) is N-cyclopropyl-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclopropyl-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclopropyl-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid is Cc1cccc(CN2CCN(c3nc4ccccc4nc3NC3CC3)CC2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is TXZSWQSUXNFHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5.C2HF3O2/c1-17-5-4-6-18(15-17)16-27-11-13-28(14-12-27)23-22(24-19-9-10-19)25-20-7-2-3-8-21(20)26-23;3-2(4,5)1(6)7/h2-8,15,19H,9-14,16H2,1H3,(H,24,25);(H,6,7).
What are the key properties of N-cyclopropyl-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid?
N-cyclopropyl-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 487.53 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 73050885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).