thiomorpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone

C20H18N6OS — CID 144591518

IUPACthiomorpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
SMILESO=C(c1ccc(Nc2nc3ccccc3n3ncnc23)cc1)N1CCSCC1
InChIInChI=1S/C20H18N6OS/c27-20(25-9-11-28-12-10-25)14-5-7-15(8-6-14)23-18-19-21-13-22-26(19)17-4-2-1-3-16(17)24-18/h1-8,13H,9-12H2,(H,23,24)
InChIKeyLAHAYEXHDLALPT-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.21
Rot. Bonds3

About thiomorpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone

thiomorpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone (PubChem CID 144591518) has the molecular formula C20H18N6OS and a molecular weight of 390.47 g/mol. Its IUPAC name is thiomorpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone.

Molecular Properties

Compound Namethiomorpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
PubChem CID144591518
Molecular FormulaC20H18N6OS
Molecular Weight390.47 g/mol
Exact Mass390.13
IUPAC Namethiomorpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
SMILESO=C(c1ccc(Nc2nc3ccccc3n3ncnc23)cc1)N1CCSCC1
InChIInChI=1S/C20H18N6OS/c27-20(25-9-11-28-12-10-25)14-5-7-15(8-6-14)23-18-19-21-13-22-26(19)17-4-2-1-3-16(17)24-18/h1-8,13H,9-12H2,(H,23,24)
InChIKeyLAHAYEXHDLALPT-UHFFFAOYSA-N
XLogP3.21
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
cyclopropyl-[4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazin-1-yl]methanone
CID 73441895
(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
[4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 73388373
tert-butyl 4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazine-1-carboxylate
CID 73442647
[4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 15990205
ethane;[4-(3-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 144591459
3-oxa-8-azabicyclo[3.2.1]octan-8-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 90082714
N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]morpholine-4-carboxamide
CID 73442469
N,N-dimethyl-4-[4-[[4-(methylideneamino)-3-methyliminoquinoxalin-2-yl]amino]benzoyl]piperazine-1-carboximidamide
CID 123756810

Frequently Asked Questions

What is the IUPAC name of thiomorpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
The IUPAC name of thiomorpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone (CID 144591518) is thiomorpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone.
What is the SMILES notation for thiomorpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
The canonical SMILES for thiomorpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone is O=C(c1ccc(Nc2nc3ccccc3n3ncnc23)cc1)N1CCSCC1.
What is the InChIKey of thiomorpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
The InChIKey is LAHAYEXHDLALPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS/c27-20(25-9-11-28-12-10-25)14-5-7-15(8-6-14)23-18-19-21-13-22-26(19)17-4-2-1-3-16(17)24-18/h1-8,13H,9-12H2,(H,23,24).
What are the key properties of thiomorpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
thiomorpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone has a molecular weight of 390.47 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone is sourced from PubChem (CID 144591518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).