[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate

C33H22N4O5S — CID 21232766

IUPAC[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
SMILESCC(OC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C33H22N4O5S/c1-19(31(38)37-33-36-26(18-43-33)22-11-10-20-6-2-3-7-21(20)16-22)42-32(39)23-12-13-24-25(17-23)35-30(28-9-5-15-41-28)29(34-24)27-8-4-14-40-27/h2-19H,1H3,(H,36,37,38)
InChIKeyWXMUNEPZEDDACD-UHFFFAOYSA-N
MW586.63 g/mol
LogP7.61
Rot. Bonds7

About [1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate

[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate (PubChem CID 21232766) has the molecular formula C33H22N4O5S and a molecular weight of 586.63 g/mol. Its IUPAC name is [1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate.

Molecular Properties

Compound Name[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
PubChem CID21232766
Molecular FormulaC33H22N4O5S
Molecular Weight586.63 g/mol
Exact Mass586.13
IUPAC Name[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
SMILESCC(OC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C33H22N4O5S/c1-19(31(38)37-33-36-26(18-43-33)22-11-10-20-6-2-3-7-21(20)16-22)42-32(39)23-12-13-24-25(17-23)35-30(28-9-5-15-41-28)29(34-24)27-8-4-14-40-27/h2-19H,1H3,(H,36,37,38)
InChIKeyWXMUNEPZEDDACD-UHFFFAOYSA-N
XLogP7.61
TPSA120.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.63
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23916050
[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23972149
[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 23999827
[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-methoxybenzoate
CID 2510397
[1-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23972042
[1-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate
CID 23972068
[(2S)-1-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7890199
[(2S)-1-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] furan-2-carboxylate
CID 7891674
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-propan-2-ylbenzoate
CID 16521251
[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-acetamidobenzoate
CID 8821041
[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-tert-butylbenzoate
CID 7891821
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-tert-butylbenzoate
CID 4689295

Frequently Asked Questions

What is the IUPAC name of [1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?
The IUPAC name of [1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate (CID 21232766) is [1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate.
What is the SMILES notation for [1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?
The canonical SMILES for [1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate is CC(OC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of [1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?
The InChIKey is WXMUNEPZEDDACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4O5S/c1-19(31(38)37-33-36-26(18-43-33)22-11-10-20-6-2-3-7-21(20)16-22)42-32(39)23-12-13-24-25(17-23)35-30(28-9-5-15-41-28)29(34-24)27-8-4-14-40-27/h2-19H,1H3,(H,36,37,38).
What are the key properties of [1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?
[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate has a molecular weight of 586.63 g/mol, XLogP of 7.61, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate is sourced from PubChem (CID 21232766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).