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

C22H22N2O4 — CID 136617776

IUPAC(4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)ccc1O
InChIInChI=1S/C22H22N2O4/c1-13(16-11-22(26)24-12-16)28-20-10-15(8-18-17(20)4-3-7-23-18)14-5-6-19(25)21(9-14)27-2/h3-10,13,16,25H,11-12H2,1-2H3,(H,24,26)/t13-,16-/m1/s1
InChIKeyNWOAQTKDTOSKFT-CZUORRHYSA-N
MW378.43 g/mol
LogP3.52
Rot. Bonds5

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

(4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 136617776) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID136617776
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name(4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)ccc1O
InChIInChI=1S/C22H22N2O4/c1-13(16-11-22(26)24-12-16)28-20-10-15(8-18-17(20)4-3-7-23-18)14-5-6-19(25)21(9-14)27-2/h3-10,13,16,25H,11-12H2,1-2H3,(H,24,26)/t13-,16-/m1/s1
InChIKeyNWOAQTKDTOSKFT-CZUORRHYSA-N
XLogP3.52
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 136617776) is (4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)ccc1O.
What is the InChIKey of (4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is NWOAQTKDTOSKFT-CZUORRHYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-13(16-11-22(26)24-12-16)28-20-10-15(8-18-17(20)4-3-7-23-18)14-5-6-19(25)21(9-14)27-2/h3-10,13,16,25H,11-12H2,1-2H3,(H,24,26)/t13-,16-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 378.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 136617776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).