1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]ethanone

C22H22N2O3 — CID 141203944

IUPAC1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]ethanone
SMILESCOc1ccc2c(OC3CCN(C(C)=O)C3)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H22N2O3/c1-15(25)24-11-10-18(14-24)27-22-13-20(16-6-4-3-5-7-16)23-21-12-17(26-2)8-9-19(21)22/h3-9,12-13,18H,10-11,14H2,1-2H3
InChIKeyGANACSCCPMHHGE-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.91
Rot. Bonds4

About 1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]ethanone

1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]ethanone (PubChem CID 141203944) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]ethanone
PubChem CID141203944
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]ethanone
SMILESCOc1ccc2c(OC3CCN(C(C)=O)C3)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H22N2O3/c1-15(25)24-11-10-18(14-24)27-22-13-20(16-6-4-3-5-7-16)23-21-12-17(26-2)8-9-19(21)22/h3-9,12-13,18H,10-11,14H2,1-2H3
InChIKeyGANACSCCPMHHGE-UHFFFAOYSA-N
XLogP3.91
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-methylsulfonylpyrrolidine-2-carboxylic acid
CID 143643438
4-(1-iodo-5-methylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline
CID 143036531
(1R,2S,4S)-2-amino-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid
CID 69315373
2-(cyclopropylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylic acid
CID 141060869
(1R,2S,4R)-2-acetamido-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid
CID 59441103
(2S)-1-(benzylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid
CID 143643502
tert-butyl (2S,4R)-2-(2-hydroxyacetyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylate
CID 58194889
(7-methoxy-2-phenylquinolin-4-yl) hypofluorite
CID 143605848
1-[3,3-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)butanoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid
CID 123817611
acetylene;ethane;formamide;1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone;7-methoxy-2-phenylquinoline;2-methylpropane
CID 142158325
ethane;ethene;(1R)-2-ethenyl-1-formamido-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-[(2S)-1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]formamide;2-methylpropan-2-ol
CID 142895088
(2S,4R)-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid
CID 59127595

Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]ethanone (CID 141203944) is 1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]ethanone is COc1ccc2c(OC3CCN(C(C)=O)C3)cc(-c3ccccc3)nc2c1.
What is the InChIKey of 1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]ethanone?
The InChIKey is GANACSCCPMHHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-15(25)24-11-10-18(14-24)27-22-13-20(16-6-4-3-5-7-16)23-21-12-17(26-2)8-9-19(21)22/h3-9,12-13,18H,10-11,14H2,1-2H3.
What are the key properties of 1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]ethanone?
1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]ethanone has a molecular weight of 362.43 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 141203944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).