[4-(2-methoxyphenyl)piperazin-1-yl]-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]methanone

C27H25N7O2 — CID 22432277

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cccc(Nc3nc4ccccc4n4cnnc34)c2)CC1
InChIInChI=1S/C27H25N7O2/c1-36-24-12-5-4-11-23(24)32-13-15-33(16-14-32)27(35)19-7-6-8-20(17-19)29-25-26-31-28-18-34(26)22-10-3-2-9-21(22)30-25/h2-12,17-18H,13-16H2,1H3,(H,29,30)
InChIKeyUJMXMVVYSSVJPM-UHFFFAOYSA-N
MW479.54 g/mol
LogP3.99
Rot. Bonds5

About [4-(2-methoxyphenyl)piperazin-1-yl]-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]methanone (PubChem CID 22432277) has the molecular formula C27H25N7O2 and a molecular weight of 479.54 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]methanone
PubChem CID22432277
Molecular FormulaC27H25N7O2
Molecular Weight479.54 g/mol
Exact Mass479.21
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cccc(Nc3nc4ccccc4n4cnnc34)c2)CC1
InChIInChI=1S/C27H25N7O2/c1-36-24-12-5-4-11-23(24)32-13-15-33(16-14-32)27(35)19-7-6-8-20(17-19)29-25-26-31-28-18-34(26)22-10-3-2-9-21(22)30-25/h2-12,17-18H,13-16H2,1H3,(H,29,30)
InChIKeyUJMXMVVYSSVJPM-UHFFFAOYSA-N
XLogP3.99
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 22432185
[3-(2-methoxyanilino)sulfanylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 146231616
1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9335620
[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 26534443
(3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 113199237
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
[4-(2-methoxyphenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372121
2,3-dihydro-1H-inden-5-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9118183
(5-hydroxy-3-pyridinyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 110854337
(2-anilinopyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109310401
[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 46054196
(3,5-dichloro-4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]methanone (CID 22432277) is [4-(2-methoxyphenyl)piperazin-1-yl]-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]methanone is COc1ccccc1N1CCN(C(=O)c2cccc(Nc3nc4ccccc4n4cnnc34)c2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]methanone?
The InChIKey is UJMXMVVYSSVJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O2/c1-36-24-12-5-4-11-23(24)32-13-15-33(16-14-32)27(35)19-7-6-8-20(17-19)29-25-26-31-28-18-34(26)22-10-3-2-9-21(22)30-25/h2-12,17-18H,13-16H2,1H3,(H,29,30).
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]methanone has a molecular weight of 479.54 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]methanone is sourced from PubChem (CID 22432277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).