methyl 1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-2-oxoquinoline-3-carboxylate

C35H27N5O6 — CID 70122372

About methyl 1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-2-oxoquinoline-3-carboxylate

methyl 1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-2-oxoquinoline-3-carboxylate (PubChem CID 70122372) has the molecular formula C35H27N5O6 and a molecular weight of 613.63 g/mol. Its IUPAC name is methyl 1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-2-oxoquinoline-3-carboxylate.

Molecular Properties

• Compound Name: methyl 1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-2-oxoquinoline-3-carboxylate
• PubChem CID: 70122372
• Molecular Formula: C35H27N5O6
• Molecular Weight: 613.63 g/mol
• Exact Mass: 613.20
• IUPAC Name: methyl 1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-2-oxoquinoline-3-carboxylate
• SMILES: COC(=O)c1cc2cc(OCc3cccc(-c4noc(C)n4)c3)ccc2n(Cc2ccc3ccc(-c4noc(C)n4)cc3c2)c1=O
• InChI: InChI=1S/C35H27N5O6/c1-20-36-32(38-45-20)25-6-4-5-23(14-25)19-44-29-11-12-31-28(16-29)17-30(35(42)43-3)34(41)40(31)18-22-7-8-24-9-10-26(15-27(24)13-22)33-37-21(2)46-39-33/h4-17H,18-19H2,1-3H3
• InChIKey: NGSLRYSMEYSGOZ-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 135.37 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	613.63
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-2-oxoquinoline-3-carboxylate?

The IUPAC name of methyl 1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-2-oxoquinoline-3-carboxylate (CID 70122372) is methyl 1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-2-oxoquinoline-3-carboxylate.

What is the SMILES notation for methyl 1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-2-oxoquinoline-3-carboxylate?

The canonical SMILES for methyl 1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-2-oxoquinoline-3-carboxylate is COC(=O)c1cc2cc(OCc3cccc(-c4noc(C)n4)c3)ccc2n(Cc2ccc3ccc(-c4noc(C)n4)cc3c2)c1=O.

What is the InChIKey of methyl 1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-2-oxoquinoline-3-carboxylate?

The InChIKey is NGSLRYSMEYSGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N5O6/c1-20-36-32(38-45-20)25-6-4-5-23(14-25)19-44-29-11-12-31-28(16-29)17-30(35(42)43-3)34(41)40(31)18-22-7-8-24-9-10-26(15-27(24)13-22)33-37-21(2)46-39-33/h4-17H,18-19H2,1-3H3.

What are the key properties of methyl 1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-2-oxoquinoline-3-carboxylate?

methyl 1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-2-oxoquinoline-3-carboxylate has a molecular weight of 613.63 g/mol, XLogP of 6.29, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 70122372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).