quinolin-8-yl (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate

C22H20N2O3 — CID 9057277

IUPACquinolin-8-yl (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccc(N2C[C@H](C(=O)Oc3cccc4cccnc34)CC2=O)cc1
InChIInChI=1S/C22H20N2O3/c1-2-15-8-10-18(11-9-15)24-14-17(13-20(24)25)22(26)27-19-7-3-5-16-6-4-12-23-21(16)19/h3-12,17H,2,13-14H2,1H3/t17-/m1/s1
InChIKeyRKQBITHMQOMWCJ-QGZVFWFLSA-N
MW360.41 g/mol
LogP3.76
Rot. Bonds4

About quinolin-8-yl (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate

quinolin-8-yl (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 9057277) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is quinolin-8-yl (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namequinolin-8-yl (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID9057277
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Namequinolin-8-yl (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccc(N2C[C@H](C(=O)Oc3cccc4cccnc34)CC2=O)cc1
InChIInChI=1S/C22H20N2O3/c1-2-15-8-10-18(11-9-15)24-14-17(13-20(24)25)22(26)27-19-7-3-5-16-6-4-12-23-21(16)19/h3-12,17H,2,13-14H2,1H3/t17-/m1/s1
InChIKeyRKQBITHMQOMWCJ-QGZVFWFLSA-N
XLogP3.76
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze quinolin-8-yl (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

quinolin-8-yl (3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057356
(2-methoxyphenyl) (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7220494
(2,5-dimethylphenyl) (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057285
(4-ethylphenyl) (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 1218876
(4-ethylphenyl) (3S)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057558
[4-(2-oxopyrrolidin-1-yl)phenyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 46611881
(2-chlorophenyl) (3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 26096521
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7871437
N-(3-chloro-2-pyridinyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 75398639
(3S)-1-(4-ethylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 1088262
[(2R)-1-amino-1-oxopropan-2-yl] (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8524656
(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 6922046

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of quinolin-8-yl (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 9057277) is quinolin-8-yl (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for quinolin-8-yl (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for quinolin-8-yl (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate is CCc1ccc(N2C[C@H](C(=O)Oc3cccc4cccnc34)CC2=O)cc1.
What is the InChIKey of quinolin-8-yl (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is RKQBITHMQOMWCJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-2-15-8-10-18(11-9-15)24-14-17(13-20(24)25)22(26)27-19-7-3-5-16-6-4-12-23-21(16)19/h3-12,17H,2,13-14H2,1H3/t17-/m1/s1.
What are the key properties of quinolin-8-yl (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
quinolin-8-yl (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 360.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 9057277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).