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

C22H22N2O4 — CID 137093570

IUPAC4-[1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc(OC(C)C3CNC(=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)
InChIKeyNWOAQTKDTOSKFT-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.52
Rot. Bonds5

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

4-[1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 137093570) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-[1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID137093570
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name4-[1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc(OC(C)C3CNC(=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)
InChIKeyNWOAQTKDTOSKFT-UHFFFAOYSA-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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Related Compounds

N-[(3,4-dimethoxyphenyl)-(8-hydroxy-7-quinolyl)methyl]pentanamide
CID 3129250
N-[(3,4-dimethoxyphenyl)-(8-hydroxy-7-quinolyl)methyl]-3-methyl-butanamide
CID 2930224
(R)-4-((R)-1-((7-(3,4,5-Trimethoxyphenyl)-1,6-naphthyridin-5-yl)oxy)ethyl)pyrrolidin-2-one
CID 57404068
Oxyquinoline, D3, #7
CID 2877092
N-[(8-hydroxy-7-quinolyl)-(4-methoxyphenyl)methyl]pentanamide
CID 3129249
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 24965937
2-Methoxy-6-[[3-[(7-phenoxy-4-quinolyl)amino]propylamino]methyl]phenol
CID 56593815
2-[[3-[[7-[3-(Dimethylamino)phenoxy]-4-quinolyl]amino]propylamino]methyl]-6-methoxy-phenol
CID 56593817
2-Methoxy-6-[[3-[[7-(2-methoxyphenoxy)-4-quinolyl]amino]propylamino]methyl]phenol
CID 56593943
2-[[3-[[7-(4-Fluorophenoxy)-4-quinolyl]amino]propylamino]methyl]-6-methoxy-phenol
CID 56593950
2-[[3-[[7-(1-Ethylpropyl)-4-quinolyl]amino]propylamino]methyl]-6-methoxy-phenol
CID 56594070
2-Methoxy-6-[[3-[[7-(4-methoxyphenyl)-4-quinolyl]amino]propylamino]methyl]phenol
CID 56594355

Frequently Asked Questions

What is the IUPAC name of 4-[1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 137093570) is 4-[1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is COc1cc(-c2cc(OC(C)C3CNC(=O)C3)c3cccnc3c2)ccc1O.
What is the InChIKey of 4-[1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is NWOAQTKDTOSKFT-UHFFFAOYSA-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).
What are the key properties of 4-[1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
4-[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 4-[1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 137093570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).