ethyl 4-[2-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]ethyl-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]amino]butanoate

C30H36N4O7 — CID 66736519

About ethyl 4-[2-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]ethyl-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]amino]butanoate

ethyl 4-[2-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]ethyl-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]amino]butanoate (PubChem CID 66736519) has the molecular formula C30H36N4O7 and a molecular weight of 564.64 g/mol. Its IUPAC name is ethyl 4-[2-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]ethyl-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]amino]butanoate.

Molecular Properties

• Compound Name: ethyl 4-[2-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]ethyl-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]amino]butanoate
• PubChem CID: 66736519
• Molecular Formula: C30H36N4O7
• Molecular Weight: 564.64 g/mol
• Exact Mass: 564.26
• IUPAC Name: ethyl 4-[2-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]ethyl-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]amino]butanoate
• SMILES: CCOC(=O)CCCN(CCc1ccnc2ccc(OC)nc12)CC[C@H]1CN(c2ccc3c(c2)OCCO3)C(=O)O1
• InChI: InChI=1S/C30H36N4O7/c1-3-38-28(35)5-4-14-33(15-11-21-10-13-31-24-7-9-27(37-2)32-29(21)24)16-12-23-20-34(30(36)41-23)22-6-8-25-26(19-22)40-18-17-39-25/h6-10,13,19,23H,3-5,11-12,14-18,20H2,1-2H3/t23-/m0/s1
• InChIKey: YBFLZFNHSSLRKH-QHCPKHFHSA-N
• XLogP: 4.01
• TPSA: 112.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.64
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]ethyl-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]amino]butanoate?

The IUPAC name of ethyl 4-[2-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]ethyl-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]amino]butanoate (CID 66736519) is ethyl 4-[2-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]ethyl-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]amino]butanoate.

What is the SMILES notation for ethyl 4-[2-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]ethyl-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]amino]butanoate?

The canonical SMILES for ethyl 4-[2-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]ethyl-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]amino]butanoate is CCOC(=O)CCCN(CCc1ccnc2ccc(OC)nc12)CC[C@H]1CN(c2ccc3c(c2)OCCO3)C(=O)O1.

What is the InChIKey of ethyl 4-[2-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]ethyl-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]amino]butanoate?

The InChIKey is YBFLZFNHSSLRKH-QHCPKHFHSA-N. The full InChI is InChI=1S/C30H36N4O7/c1-3-38-28(35)5-4-14-33(15-11-21-10-13-31-24-7-9-27(37-2)32-29(21)24)16-12-23-20-34(30(36)41-23)22-6-8-25-26(19-22)40-18-17-39-25/h6-10,13,19,23H,3-5,11-12,14-18,20H2,1-2H3/t23-/m0/s1.

What are the key properties of ethyl 4-[2-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]ethyl-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]amino]butanoate?

ethyl 4-[2-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]ethyl-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]amino]butanoate has a molecular weight of 564.64 g/mol, XLogP of 4.01, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[2-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]ethyl-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]amino]butanoate is sourced from PubChem (CID 66736519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).