[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone

C27H26N8O — CID 22432185

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cccc(Nc4nc5ccccc5n5nnnc45)c3)CC2)c1C
InChIInChI=1S/C27H26N8O/c1-18-7-5-12-23(19(18)2)33-13-15-34(16-14-33)27(36)20-8-6-9-21(17-20)28-25-26-30-31-32-35(26)24-11-4-3-10-22(24)29-25/h3-12,17H,13-16H2,1-2H3,(H,28,29)
InChIKeyWVUFRFFIGCHBGI-UHFFFAOYSA-N
MW478.56 g/mol
LogP4.00
Rot. Bonds4

About [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone

[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone (PubChem CID 22432185) has the molecular formula C27H26N8O and a molecular weight of 478.56 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
PubChem CID22432185
Molecular FormulaC27H26N8O
Molecular Weight478.56 g/mol
Exact Mass478.22
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cccc(Nc4nc5ccccc5n5nnnc45)c3)CC2)c1C
InChIInChI=1S/C27H26N8O/c1-18-7-5-12-23(19(18)2)33-13-15-34(16-14-33)27(36)20-8-6-9-21(17-20)28-25-26-30-31-32-35(26)24-11-4-3-10-22(24)29-25/h3-12,17H,13-16H2,1-2H3,(H,28,29)
InChIKeyWVUFRFFIGCHBGI-UHFFFAOYSA-N
XLogP4.00
TPSA91.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone with MolForge

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Related Compounds

[4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 15990205
[4-(2-methoxyphenyl)piperazin-1-yl]-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]methanone
CID 22432277
tert-butyl 4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazine-1-carboxylate
CID 73442647
cyclopropyl-[4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazin-1-yl]methanone
CID 73441895
1-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperidine-4-carboxylic acid
CID 73442170
[4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 73388373
ethane;[4-(3-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 144591459
tert-butyl N-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]carbamate
CID 9271219
(3-ethylpiperidin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone;formonitrile
CID 144591464
3-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1-ethylquinoxalin-2-one
CID 46395214
(2-anilinophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 27259352
N-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide
CID 53091456

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone (CID 22432185) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone is Cc1cccc(N2CCN(C(=O)c3cccc(Nc4nc5ccccc5n5nnnc45)c3)CC2)c1C.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
The InChIKey is WVUFRFFIGCHBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8O/c1-18-7-5-12-23(19(18)2)33-13-15-34(16-14-33)27(36)20-8-6-9-21(17-20)28-25-26-30-31-32-35(26)24-11-4-3-10-22(24)29-25/h3-12,17H,13-16H2,1-2H3,(H,28,29).
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone has a molecular weight of 478.56 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone is sourced from PubChem (CID 22432185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).