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

C35H25N5O7 — CID 70122735

IUPACmethyl 6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]oxy-1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-2-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1cc2cc(OC(=O)c3cccc(-c4noc(C)n4)c3)ccc2n(Cc2ccc3ccc(-c4noc(C)n4)cc3c2)c1=O
InChIInChI=1S/C35H25N5O7/c1-19-36-31(38-46-19)23-5-4-6-25(14-23)34(42)45-28-11-12-30-27(16-28)17-29(35(43)44-3)33(41)40(30)18-21-7-8-22-9-10-24(15-26(22)13-21)32-37-20(2)47-39-32/h4-17H,18H2,1-3H3
InChIKeyMOFQFRGBLARXCX-UHFFFAOYSA-N
MW627.61 g/mol
LogP5.93
Rot. Bonds7

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

methyl 6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]oxy-1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-2-oxoquinoline-3-carboxylate (PubChem CID 70122735) has the molecular formula C35H25N5O7 and a molecular weight of 627.61 g/mol. Its IUPAC name is methyl 6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]oxy-1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-2-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]oxy-1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-2-oxoquinoline-3-carboxylate
PubChem CID70122735
Molecular FormulaC35H25N5O7
Molecular Weight627.61 g/mol
Exact Mass627.18
IUPAC Namemethyl 6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]oxy-1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-2-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1cc2cc(OC(=O)c3cccc(-c4noc(C)n4)c3)ccc2n(Cc2ccc3ccc(-c4noc(C)n4)cc3c2)c1=O
InChIInChI=1S/C35H25N5O7/c1-19-36-31(38-46-19)23-5-4-6-25(14-23)34(42)45-28-11-12-30-27(16-28)17-29(35(43)44-3)33(41)40(30)18-21-7-8-22-9-10-24(15-26(22)13-21)32-37-20(2)47-39-32/h4-17H,18H2,1-3H3
InChIKeyMOFQFRGBLARXCX-UHFFFAOYSA-N
XLogP5.93
TPSA152.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500627.61
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze methyl 6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]oxy-1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-2-oxoquinoline-3-carboxylate with MolForge

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Related Compounds

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
6-(3-carbamimidoylbenzoyl)oxy-1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2-oxoquinoline-3-carboxylic acid
CID 70088595
methyl 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)benzoate
CID 176895766
ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429626
methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate
CID 67685081
methyl 3-[(5-methoxy-2-propan-2-ylindol-1-yl)methyl]benzoate
CID 67684489
methyl 2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate
CID 142731706
methyl 8-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]naphthalene-2-carboxylate
CID 58553629
[1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-6-(piperidin-4-ylamino)-2-propan-2-ylbenzimidazol-4-yl] hydrogen carbonate
CID 70139580
methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate
CID 121418858
methyl 7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-2-oxo-1H-quinoline-4-carboxylate
CID 139920135
methyl 1-methyl-3-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]pyrazole-5-carboxylate
CID 168974513

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]oxy-1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-2-oxoquinoline-3-carboxylate?
The IUPAC name of methyl 6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]oxy-1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-2-oxoquinoline-3-carboxylate (CID 70122735) is methyl 6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]oxy-1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-2-oxoquinoline-3-carboxylate.
What is the SMILES notation for methyl 6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]oxy-1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-2-oxoquinoline-3-carboxylate?
The canonical SMILES for methyl 6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]oxy-1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-2-oxoquinoline-3-carboxylate is COC(=O)c1cc2cc(OC(=O)c3cccc(-c4noc(C)n4)c3)ccc2n(Cc2ccc3ccc(-c4noc(C)n4)cc3c2)c1=O.
What is the InChIKey of methyl 6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]oxy-1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-2-oxoquinoline-3-carboxylate?
The InChIKey is MOFQFRGBLARXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N5O7/c1-19-36-31(38-46-19)23-5-4-6-25(14-23)34(42)45-28-11-12-30-27(16-28)17-29(35(43)44-3)33(41)40(30)18-21-7-8-22-9-10-24(15-26(22)13-21)32-37-20(2)47-39-32/h4-17H,18H2,1-3H3.
What are the key properties of methyl 6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]oxy-1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-2-oxoquinoline-3-carboxylate?
methyl 6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]oxy-1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-2-oxoquinoline-3-carboxylate has a molecular weight of 627.61 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]oxy-1-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]methyl]-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 70122735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).