ethyl 4-hydroxy-2-[2-methyl-4-(2-morpholin-4-ylethoxy)anilino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-carboxylate

C28H30N4O6 — CID 148546006

About ethyl 4-hydroxy-2-[2-methyl-4-(2-morpholin-4-ylethoxy)anilino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-carboxylate

ethyl 4-hydroxy-2-[2-methyl-4-(2-morpholin-4-ylethoxy)anilino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-carboxylate (PubChem CID 148546006) has the molecular formula C28H30N4O6 and a molecular weight of 518.57 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-[2-methyl-4-(2-morpholin-4-ylethoxy)anilino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-hydroxy-2-[2-methyl-4-(2-morpholin-4-ylethoxy)anilino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-carboxylate
• PubChem CID: 148546006
• Molecular Formula: C28H30N4O6
• Molecular Weight: 518.57 g/mol
• Exact Mass: 518.22
• IUPAC Name: ethyl 4-hydroxy-2-[2-methyl-4-(2-morpholin-4-ylethoxy)anilino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-carboxylate
• SMILES: CCOC(=O)c1c(Nc2ccc(OCCN3CCOCC3)cc2C)oc(C=C2C=Nc3ncccc32)c1O
• InChI: InChI=1S/C28H30N4O6/c1-3-36-28(34)24-25(33)23(16-19-17-30-26-21(19)5-4-8-29-26)38-27(24)31-22-7-6-20(15-18(22)2)37-14-11-32-9-12-35-13-10-32/h4-8,15-17,31,33H,3,9-14H2,1-2H3
• InChIKey: CQMGGKUDFYRNSG-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 118.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.57
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-[2-methyl-4-(2-morpholin-4-ylethoxy)anilino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-carboxylate?

The IUPAC name of ethyl 4-hydroxy-2-[2-methyl-4-(2-morpholin-4-ylethoxy)anilino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-carboxylate (CID 148546006) is ethyl 4-hydroxy-2-[2-methyl-4-(2-morpholin-4-ylethoxy)anilino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-carboxylate.

What is the SMILES notation for ethyl 4-hydroxy-2-[2-methyl-4-(2-morpholin-4-ylethoxy)anilino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-carboxylate?

The canonical SMILES for ethyl 4-hydroxy-2-[2-methyl-4-(2-morpholin-4-ylethoxy)anilino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-carboxylate is CCOC(=O)c1c(Nc2ccc(OCCN3CCOCC3)cc2C)oc(C=C2C=Nc3ncccc32)c1O.

What is the InChIKey of ethyl 4-hydroxy-2-[2-methyl-4-(2-morpholin-4-ylethoxy)anilino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-carboxylate?

The InChIKey is CQMGGKUDFYRNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O6/c1-3-36-28(34)24-25(33)23(16-19-17-30-26-21(19)5-4-8-29-26)38-27(24)31-22-7-6-20(15-18(22)2)37-14-11-32-9-12-35-13-10-32/h4-8,15-17,31,33H,3,9-14H2,1-2H3.

What are the key properties of ethyl 4-hydroxy-2-[2-methyl-4-(2-morpholin-4-ylethoxy)anilino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-carboxylate?

ethyl 4-hydroxy-2-[2-methyl-4-(2-morpholin-4-ylethoxy)anilino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-carboxylate has a molecular weight of 518.57 g/mol, XLogP of 4.58, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-hydroxy-2-[2-methyl-4-(2-morpholin-4-ylethoxy)anilino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-carboxylate is sourced from PubChem (CID 148546006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).