ethyl 2-[[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C31H27Cl2N5O5S — CID 53311108

About ethyl 2-[[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 53311108) has the molecular formula C31H27Cl2N5O5S and a molecular weight of 652.56 g/mol. Its IUPAC name is ethyl 2-[[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
• PubChem CID: 53311108
• Molecular Formula: C31H27Cl2N5O5S
• Molecular Weight: 652.56 g/mol
• Exact Mass: 651.11
• IUPAC Name: ethyl 2-[[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
• SMILES: CCOC(=O)c1sc(NC(=O)c2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)nc1C
• InChI: InChI=1S/C31H27Cl2N5O5S/c1-3-42-30(41)27-17(2)35-31(44-27)36-28(39)19-14-22(33)26(15-21(19)32)43-25-10-11-34-16-20(25)29(40)38-13-12-37(18-8-9-18)23-6-4-5-7-24(23)38/h4-7,10-11,14-16,18H,3,8-9,12-13H2,1-2H3,(H,35,36,39)
• InChIKey: UIIFECBGCTVIDT-UHFFFAOYSA-N
• XLogP: 7.00
• TPSA: 113.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.56
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?

The IUPAC name of ethyl 2-[[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 53311108) is ethyl 2-[[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

What is the SMILES notation for ethyl 2-[[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?

The canonical SMILES for ethyl 2-[[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)nc1C.

What is the InChIKey of ethyl 2-[[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?

The InChIKey is UIIFECBGCTVIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27Cl2N5O5S/c1-3-42-30(41)27-17(2)35-31(44-27)36-28(39)19-14-22(33)26(15-21(19)32)43-25-10-11-34-16-20(25)29(40)38-13-12-37(18-8-9-18)23-6-4-5-7-24(23)38/h4-7,10-11,14-16,18H,3,8-9,12-13H2,1-2H3,(H,35,36,39).

What are the key properties of ethyl 2-[[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?

ethyl 2-[[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 652.56 g/mol, XLogP of 7.00, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 53311108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).