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

C23H24N2O5 — CID 71241931

IUPAC(4R)-4-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc(OC[C@H]3CNC(=O)C3)c3cccnc3c2)cc(OC)c1OC
InChIInChI=1S/C23H24N2O5/c1-27-20-10-16(11-21(28-2)23(20)29-3)15-8-18-17(5-4-6-24-18)19(9-15)30-13-14-7-22(26)25-12-14/h4-6,8-11,14H,7,12-13H2,1-3H3,(H,25,26)/t14-/m1/s1
InChIKeyOHHZYUSXGHQATD-CQSZACIVSA-N
MW408.45 g/mol
LogP3.44
Rot. Bonds7

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

(4R)-4-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 71241931) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is (4R)-4-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one
PubChem CID71241931
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name(4R)-4-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc(OC[C@H]3CNC(=O)C3)c3cccnc3c2)cc(OC)c1OC
InChIInChI=1S/C23H24N2O5/c1-27-20-10-16(11-21(28-2)23(20)29-3)15-8-18-17(5-4-6-24-18)19(9-15)30-13-14-7-22(26)25-12-14/h4-6,8-11,14H,7,12-13H2,1-3H3,(H,25,26)/t14-/m1/s1
InChIKeyOHHZYUSXGHQATD-CQSZACIVSA-N
XLogP3.44
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one (CID 71241931) is (4R)-4-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one is COc1cc(-c2cc(OC[C@H]3CNC(=O)C3)c3cccnc3c2)cc(OC)c1OC.
What is the InChIKey of (4R)-4-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is OHHZYUSXGHQATD-CQSZACIVSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-27-20-10-16(11-21(28-2)23(20)29-3)15-8-18-17(5-4-6-24-18)19(9-15)30-13-14-7-22(26)25-12-14/h4-6,8-11,14H,7,12-13H2,1-3H3,(H,25,26)/t14-/m1/s1.
What are the key properties of (4R)-4-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
(4R)-4-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 408.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 71241931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).