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

C23H24N2O4 — CID 71241892

IUPAC(4R)-4-[(1R)-1-[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc1OC
InChIInChI=1S/C23H24N2O4/c1-14(17-12-23(26)25-13-17)29-21-11-16(9-19-18(21)5-4-8-24-19)15-6-7-20(27-2)22(10-15)28-3/h4-11,14,17H,12-13H2,1-3H3,(H,25,26)/t14-,17-/m1/s1
InChIKeyPTFFLUCLCIXDME-RHSMWYFYSA-N
MW392.46 g/mol
LogP3.82
Rot. Bonds6

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

(4R)-4-[(1R)-1-[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 71241892) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID71241892
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name(4R)-4-[(1R)-1-[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc1OC
InChIInChI=1S/C23H24N2O4/c1-14(17-12-23(26)25-13-17)29-21-11-16(9-19-18(21)5-4-8-24-19)15-6-7-20(27-2)22(10-15)28-3/h4-11,14,17H,12-13H2,1-3H3,(H,25,26)/t14-,17-/m1/s1
InChIKeyPTFFLUCLCIXDME-RHSMWYFYSA-N
XLogP3.82
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 71241892) is (4R)-4-[(1R)-1-[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is COc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc1OC.
What is the InChIKey of (4R)-4-[(1R)-1-[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is PTFFLUCLCIXDME-RHSMWYFYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-14(17-12-23(26)25-13-17)29-21-11-16(9-19-18(21)5-4-8-24-19)15-6-7-20(27-2)22(10-15)28-3/h4-11,14,17H,12-13H2,1-3H3,(H,25,26)/t14-,17-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 392.46 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71241892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).