methyl (2S,4R)-4-[(6-ethenyl-7-methoxy-2-oxo-1H-quinolin-4-yl)oxy]pyrrolidine-2-carboxylate

C18H20N2O5 — CID 59279894

IUPACmethyl (2S,4R)-4-[(6-ethenyl-7-methoxy-2-oxo-1H-quinolin-4-yl)oxy]pyrrolidine-2-carboxylate
SMILESC=Cc1cc2c(O[C@H]3CN[C@H](C(=O)OC)C3)cc(=O)[nH]c2cc1OC
InChIInChI=1S/C18H20N2O5/c1-4-10-5-12-13(7-15(10)23-2)20-17(21)8-16(12)25-11-6-14(19-9-11)18(22)24-3/h4-5,7-8,11,14,19H,1,6,9H2,2-3H3,(H,20,21)/t11-,14+/m1/s1
InChIKeyVJWLXXSILUTTTR-RISCZKNCSA-N
MW344.37 g/mol
LogP1.46
Rot. Bonds5

About methyl (2S,4R)-4-[(6-ethenyl-7-methoxy-2-oxo-1H-quinolin-4-yl)oxy]pyrrolidine-2-carboxylate

methyl (2S,4R)-4-[(6-ethenyl-7-methoxy-2-oxo-1H-quinolin-4-yl)oxy]pyrrolidine-2-carboxylate (PubChem CID 59279894) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl (2S,4R)-4-[(6-ethenyl-7-methoxy-2-oxo-1H-quinolin-4-yl)oxy]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-4-[(6-ethenyl-7-methoxy-2-oxo-1H-quinolin-4-yl)oxy]pyrrolidine-2-carboxylate
PubChem CID59279894
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Namemethyl (2S,4R)-4-[(6-ethenyl-7-methoxy-2-oxo-1H-quinolin-4-yl)oxy]pyrrolidine-2-carboxylate
SMILESC=Cc1cc2c(O[C@H]3CN[C@H](C(=O)OC)C3)cc(=O)[nH]c2cc1OC
InChIInChI=1S/C18H20N2O5/c1-4-10-5-12-13(7-15(10)23-2)20-17(21)8-16(12)25-11-6-14(19-9-11)18(22)24-3/h4-5,7-8,11,14,19H,1,6,9H2,2-3H3,(H,20,21)/t11-,14+/m1/s1
InChIKeyVJWLXXSILUTTTR-RISCZKNCSA-N
XLogP1.46
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-4-[(6-ethenyl-7-methoxy-2-oxo-1H-quinolin-4-yl)oxy]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-4-[(6-ethenyl-7-methoxy-2-oxo-1H-quinolin-4-yl)oxy]pyrrolidine-2-carboxylate (CID 59279894) is methyl (2S,4R)-4-[(6-ethenyl-7-methoxy-2-oxo-1H-quinolin-4-yl)oxy]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-4-[(6-ethenyl-7-methoxy-2-oxo-1H-quinolin-4-yl)oxy]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-4-[(6-ethenyl-7-methoxy-2-oxo-1H-quinolin-4-yl)oxy]pyrrolidine-2-carboxylate is C=Cc1cc2c(O[C@H]3CN[C@H](C(=O)OC)C3)cc(=O)[nH]c2cc1OC.
What is the InChIKey of methyl (2S,4R)-4-[(6-ethenyl-7-methoxy-2-oxo-1H-quinolin-4-yl)oxy]pyrrolidine-2-carboxylate?
The InChIKey is VJWLXXSILUTTTR-RISCZKNCSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-4-10-5-12-13(7-15(10)23-2)20-17(21)8-16(12)25-11-6-14(19-9-11)18(22)24-3/h4-5,7-8,11,14,19H,1,6,9H2,2-3H3,(H,20,21)/t11-,14+/m1/s1.
What are the key properties of methyl (2S,4R)-4-[(6-ethenyl-7-methoxy-2-oxo-1H-quinolin-4-yl)oxy]pyrrolidine-2-carboxylate?
methyl (2S,4R)-4-[(6-ethenyl-7-methoxy-2-oxo-1H-quinolin-4-yl)oxy]pyrrolidine-2-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-4-[(6-ethenyl-7-methoxy-2-oxo-1H-quinolin-4-yl)oxy]pyrrolidine-2-carboxylate is sourced from PubChem (CID 59279894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).