3-[4-[(4-bromo-2-methylphenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine

C23H26BrN5 — CID 90038351

IUPAC3-[4-[(4-bromo-2-methylphenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine
SMILESCc1cc(Br)ccc1CN1CCN(c2nc3ccccc3nc2NC2CC2)CC1
InChIInChI=1S/C23H26BrN5/c1-16-14-18(24)7-6-17(16)15-28-10-12-29(13-11-28)23-22(25-19-8-9-19)26-20-4-2-3-5-21(20)27-23/h2-7,14,19H,8-13,15H2,1H3,(H,25,26)
InChIKeyJDUNBBDDEPVCJV-UHFFFAOYSA-N
MW452.40 g/mol
LogP4.60
Rot. Bonds5

About 3-[4-[(4-bromo-2-methylphenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine

3-[4-[(4-bromo-2-methylphenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine (PubChem CID 90038351) has the molecular formula C23H26BrN5 and a molecular weight of 452.40 g/mol. Its IUPAC name is 3-[4-[(4-bromo-2-methylphenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine.

Molecular Properties

Compound Name3-[4-[(4-bromo-2-methylphenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine
PubChem CID90038351
Molecular FormulaC23H26BrN5
Molecular Weight452.40 g/mol
Exact Mass451.14
IUPAC Name3-[4-[(4-bromo-2-methylphenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine
SMILESCc1cc(Br)ccc1CN1CCN(c2nc3ccccc3nc2NC2CC2)CC1
InChIInChI=1S/C23H26BrN5/c1-16-14-18(24)7-6-17(16)15-28-10-12-29(13-11-28)23-22(25-19-8-9-19)26-20-4-2-3-5-21(20)27-23/h2-7,14,19H,8-13,15H2,1H3,(H,25,26)
InChIKeyJDUNBBDDEPVCJV-UHFFFAOYSA-N
XLogP4.60
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine
CID 90039147
6-bromo-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
CID 90038565
N-cyclopropyl-3-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
CID 90040007
N-cyclobutyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
CID 90037561
N-cyclopropyl-3-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 90038935
N-cyclopropyl-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 73050885
[4-[[4-[2-(cyclopropylamino)-7-methylpyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]methyl]-3-fluorophenyl]methanol
CID 129256804
3-[4-(4-chloro-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylquinoxalin-2-amine
CID 118308516
N-cyclopropyl-3-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118308589
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-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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-bromo-2-methylphenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine?
The IUPAC name of 3-[4-[(4-bromo-2-methylphenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine (CID 90038351) is 3-[4-[(4-bromo-2-methylphenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine.
What is the SMILES notation for 3-[4-[(4-bromo-2-methylphenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine?
The canonical SMILES for 3-[4-[(4-bromo-2-methylphenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine is Cc1cc(Br)ccc1CN1CCN(c2nc3ccccc3nc2NC2CC2)CC1.
What is the InChIKey of 3-[4-[(4-bromo-2-methylphenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine?
The InChIKey is JDUNBBDDEPVCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN5/c1-16-14-18(24)7-6-17(16)15-28-10-12-29(13-11-28)23-22(25-19-8-9-19)26-20-4-2-3-5-21(20)27-23/h2-7,14,19H,8-13,15H2,1H3,(H,25,26).
What are the key properties of 3-[4-[(4-bromo-2-methylphenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine?
3-[4-[(4-bromo-2-methylphenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine has a molecular weight of 452.40 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-bromo-2-methylphenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine is sourced from PubChem (CID 90038351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).