4-[(1R)-1-(7-phenylquinolin-5-yl)oxyethyl]pyrrolidin-2-one

C21H20N2O2 — CID 71237984

IUPAC4-[(1R)-1-(7-phenylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccccc2)cc2ncccc12)C1CNC(=O)C1
InChIInChI=1S/C21H20N2O2/c1-14(17-12-21(24)23-13-17)25-20-11-16(15-6-3-2-4-7-15)10-19-18(20)8-5-9-22-19/h2-11,14,17H,12-13H2,1H3,(H,23,24)/t14-,17?/m1/s1
InChIKeyGEDSNNBMRVNBEQ-XPCCGILXSA-N
MW332.40 g/mol
LogP3.81
Rot. Bonds4

About 4-[(1R)-1-(7-phenylquinolin-5-yl)oxyethyl]pyrrolidin-2-one

4-[(1R)-1-(7-phenylquinolin-5-yl)oxyethyl]pyrrolidin-2-one (PubChem CID 71237984) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[(1R)-1-(7-phenylquinolin-5-yl)oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(1R)-1-(7-phenylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
PubChem CID71237984
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name4-[(1R)-1-(7-phenylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccccc2)cc2ncccc12)C1CNC(=O)C1
InChIInChI=1S/C21H20N2O2/c1-14(17-12-21(24)23-13-17)25-20-11-16(15-6-3-2-4-7-15)10-19-18(20)8-5-9-22-19/h2-11,14,17H,12-13H2,1H3,(H,23,24)/t14-,17?/m1/s1
InChIKeyGEDSNNBMRVNBEQ-XPCCGILXSA-N
XLogP3.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-(7-phenylquinolin-5-yl)oxyethyl]pyrrolidin-2-one?
The IUPAC name of 4-[(1R)-1-(7-phenylquinolin-5-yl)oxyethyl]pyrrolidin-2-one (CID 71237984) is 4-[(1R)-1-(7-phenylquinolin-5-yl)oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(1R)-1-(7-phenylquinolin-5-yl)oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[(1R)-1-(7-phenylquinolin-5-yl)oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(-c2ccccc2)cc2ncccc12)C1CNC(=O)C1.
What is the InChIKey of 4-[(1R)-1-(7-phenylquinolin-5-yl)oxyethyl]pyrrolidin-2-one?
The InChIKey is GEDSNNBMRVNBEQ-XPCCGILXSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-14(17-12-21(24)23-13-17)25-20-11-16(15-6-3-2-4-7-15)10-19-18(20)8-5-9-22-19/h2-11,14,17H,12-13H2,1H3,(H,23,24)/t14-,17?/m1/s1.
What are the key properties of 4-[(1R)-1-(7-phenylquinolin-5-yl)oxyethyl]pyrrolidin-2-one?
4-[(1R)-1-(7-phenylquinolin-5-yl)oxyethyl]pyrrolidin-2-one has a molecular weight of 332.40 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-(7-phenylquinolin-5-yl)oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71237984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).