(4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

C24H26N2O5 — CID 71238463

IUPAC(4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc(OC)c1OC
InChIInChI=1S/C24H26N2O5/c1-14(17-12-23(27)26-13-17)31-20-9-15(8-19-18(20)6-5-7-25-19)16-10-21(28-2)24(30-4)22(11-16)29-3/h5-11,14,17H,12-13H2,1-4H3,(H,26,27)/t14-,17-/m1/s1
InChIKeyBNPMNIBMJDEQFP-RHSMWYFYSA-N
MW422.48 g/mol
LogP3.83
Rot. Bonds7

About (4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 71238463) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID71238463
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name(4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc(OC)c1OC
InChIInChI=1S/C24H26N2O5/c1-14(17-12-23(27)26-13-17)31-20-9-15(8-19-18(20)6-5-7-25-19)16-10-21(28-2)24(30-4)22(11-16)29-3/h5-11,14,17H,12-13H2,1-4H3,(H,26,27)/t14-,17-/m1/s1
InChIKeyBNPMNIBMJDEQFP-RHSMWYFYSA-N
XLogP3.83
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 71238463) is (4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc(OC)c1OC.
What is the InChIKey of (4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is BNPMNIBMJDEQFP-RHSMWYFYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-14(17-12-23(27)26-13-17)31-20-9-15(8-19-18(20)6-5-7-25-19)16-10-21(28-2)24(30-4)22(11-16)29-3/h5-11,14,17H,12-13H2,1-4H3,(H,26,27)/t14-,17-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 422.48 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71238463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).