methyl (2S,4R)-4-(6-ethenyl-2-ethoxy-7-methoxyquinolin-4-yl)oxypyrrolidine-2-carboxylate

C20H24N2O5 — CID 59279870

IUPACmethyl (2S,4R)-4-(6-ethenyl-2-ethoxy-7-methoxyquinolin-4-yl)oxypyrrolidine-2-carboxylate
SMILESC=Cc1cc2c(O[C@H]3CN[C@H](C(=O)OC)C3)cc(OCC)nc2cc1OC
InChIInChI=1S/C20H24N2O5/c1-5-12-7-14-15(9-17(12)24-3)22-19(26-6-2)10-18(14)27-13-8-16(21-11-13)20(23)25-4/h5,7,9-10,13,16,21H,1,6,8,11H2,2-4H3/t13-,16+/m1/s1
InChIKeyMWCZDEATYIREEJ-CJNGLKHVSA-N
MW372.42 g/mol
LogP2.57
Rot. Bonds7

About methyl (2S,4R)-4-(6-ethenyl-2-ethoxy-7-methoxyquinolin-4-yl)oxypyrrolidine-2-carboxylate

methyl (2S,4R)-4-(6-ethenyl-2-ethoxy-7-methoxyquinolin-4-yl)oxypyrrolidine-2-carboxylate (PubChem CID 59279870) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is methyl (2S,4R)-4-(6-ethenyl-2-ethoxy-7-methoxyquinolin-4-yl)oxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-4-(6-ethenyl-2-ethoxy-7-methoxyquinolin-4-yl)oxypyrrolidine-2-carboxylate
PubChem CID59279870
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Namemethyl (2S,4R)-4-(6-ethenyl-2-ethoxy-7-methoxyquinolin-4-yl)oxypyrrolidine-2-carboxylate
SMILESC=Cc1cc2c(O[C@H]3CN[C@H](C(=O)OC)C3)cc(OCC)nc2cc1OC
InChIInChI=1S/C20H24N2O5/c1-5-12-7-14-15(9-17(12)24-3)22-19(26-6-2)10-18(14)27-13-8-16(21-11-13)20(23)25-4/h5,7,9-10,13,16,21H,1,6,8,11H2,2-4H3/t13-,16+/m1/s1
InChIKeyMWCZDEATYIREEJ-CJNGLKHVSA-N
XLogP2.57
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-4-(6-ethenyl-2-ethoxy-7-methoxyquinolin-4-yl)oxypyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-4-(6-ethenyl-2-ethoxy-7-methoxyquinolin-4-yl)oxypyrrolidine-2-carboxylate (CID 59279870) is methyl (2S,4R)-4-(6-ethenyl-2-ethoxy-7-methoxyquinolin-4-yl)oxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-4-(6-ethenyl-2-ethoxy-7-methoxyquinolin-4-yl)oxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-4-(6-ethenyl-2-ethoxy-7-methoxyquinolin-4-yl)oxypyrrolidine-2-carboxylate is C=Cc1cc2c(O[C@H]3CN[C@H](C(=O)OC)C3)cc(OCC)nc2cc1OC.
What is the InChIKey of methyl (2S,4R)-4-(6-ethenyl-2-ethoxy-7-methoxyquinolin-4-yl)oxypyrrolidine-2-carboxylate?
The InChIKey is MWCZDEATYIREEJ-CJNGLKHVSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-5-12-7-14-15(9-17(12)24-3)22-19(26-6-2)10-18(14)27-13-8-16(21-11-13)20(23)25-4/h5,7,9-10,13,16,21H,1,6,8,11H2,2-4H3/t13-,16+/m1/s1.
What are the key properties of methyl (2S,4R)-4-(6-ethenyl-2-ethoxy-7-methoxyquinolin-4-yl)oxypyrrolidine-2-carboxylate?
methyl (2S,4R)-4-(6-ethenyl-2-ethoxy-7-methoxyquinolin-4-yl)oxypyrrolidine-2-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-4-(6-ethenyl-2-ethoxy-7-methoxyquinolin-4-yl)oxypyrrolidine-2-carboxylate is sourced from PubChem (CID 59279870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).