[4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone

C24H22N10O2 — CID 73388373

IUPAC[4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
SMILESCn1cnc(C(=O)N2CCN(C(=O)c3ccc(Nc4nc5ccccc5n5nnnc45)cc3)CC2)c1
InChIInChI=1S/C24H22N10O2/c1-31-14-19(25-15-31)24(36)33-12-10-32(11-13-33)23(35)16-6-8-17(9-7-16)26-21-22-28-29-30-34(22)20-5-3-2-4-18(20)27-21/h2-9,14-15H,10-13H2,1H3,(H,26,27)
InChIKeyYFNNDVKJUPAWSW-UHFFFAOYSA-N
MW482.51 g/mol
LogP1.75
Rot. Bonds4

About [4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone

[4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone (PubChem CID 73388373) has the molecular formula C24H22N10O2 and a molecular weight of 482.51 g/mol. Its IUPAC name is [4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone.

Molecular Properties

Compound Name[4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
PubChem CID73388373
Molecular FormulaC24H22N10O2
Molecular Weight482.51 g/mol
Exact Mass482.19
IUPAC Name[4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
SMILESCn1cnc(C(=O)N2CCN(C(=O)c3ccc(Nc4nc5ccccc5n5nnnc45)cc3)CC2)c1
InChIInChI=1S/C24H22N10O2/c1-31-14-19(25-15-31)24(36)33-12-10-32(11-13-33)23(35)16-6-8-17(9-7-16)26-21-22-28-29-30-34(22)20-5-3-2-4-18(20)27-21/h2-9,14-15H,10-13H2,1H3,(H,26,27)
InChIKeyYFNNDVKJUPAWSW-UHFFFAOYSA-N
XLogP1.75
TPSA126.44 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Related Compounds

ethane;[4-(3-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 144591459
cyclopropyl-[4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazin-1-yl]methanone
CID 73441895
tert-butyl 4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazine-1-carboxylate
CID 73442647
(4-pyridin-2-ylpiperazin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 22432629
ethane;molecular hydrogen;1-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperidin-4-one
CID 144591402
1-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperidine-4-carboxylic acid
CID 73442170
1,4-diazepan-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 73442117
[4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 15990205
(3-ethylpiperidin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone;formonitrile
CID 144591464
N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]morpholine-4-carboxamide
CID 73442469
3-oxa-8-azabicyclo[3.2.1]octan-8-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 90082714
N-pyridin-4-yl-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
CID 73442523

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
The IUPAC name of [4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone (CID 73388373) is [4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone.
What is the SMILES notation for [4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
The canonical SMILES for [4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone is Cn1cnc(C(=O)N2CCN(C(=O)c3ccc(Nc4nc5ccccc5n5nnnc45)cc3)CC2)c1.
What is the InChIKey of [4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
The InChIKey is YFNNDVKJUPAWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N10O2/c1-31-14-19(25-15-31)24(36)33-12-10-32(11-13-33)23(35)16-6-8-17(9-7-16)26-21-22-28-29-30-34(22)20-5-3-2-4-18(20)27-21/h2-9,14-15H,10-13H2,1H3,(H,26,27).
What are the key properties of [4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
[4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone has a molecular weight of 482.51 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone is sourced from PubChem (CID 73388373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).