(3R)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-ethoxyphenyl)pyrrolidine-2,5-dione

C21H22N2O3 — CID 1182440

IUPAC(3R)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-ethoxyphenyl)pyrrolidine-2,5-dione
SMILESCCOc1ccccc1N1C(=O)C[C@@H](N2CCCc3ccccc32)C1=O
InChIInChI=1S/C21H22N2O3/c1-2-26-19-12-6-5-11-17(19)23-20(24)14-18(21(23)25)22-13-7-9-15-8-3-4-10-16(15)22/h3-6,8,10-12,18H,2,7,9,13-14H2,1H3/t18-/m1/s1
InChIKeyOZNNSALVFLXTMW-GOSISDBHSA-N
MW350.42 g/mol
LogP3.17
Rot. Bonds4

About (3R)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-ethoxyphenyl)pyrrolidine-2,5-dione

(3R)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-ethoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 1182440) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (3R)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-ethoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-ethoxyphenyl)pyrrolidine-2,5-dione
PubChem CID1182440
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(3R)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-ethoxyphenyl)pyrrolidine-2,5-dione
SMILESCCOc1ccccc1N1C(=O)C[C@@H](N2CCCc3ccccc32)C1=O
InChIInChI=1S/C21H22N2O3/c1-2-26-19-12-6-5-11-17(19)23-20(24)14-18(21(23)25)22-13-7-9-15-8-3-4-10-16(15)22/h3-6,8,10-12,18H,2,7,9,13-14H2,1H3/t18-/m1/s1
InChIKeyOZNNSALVFLXTMW-GOSISDBHSA-N
XLogP3.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroindol-1-yl)-1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 3152006
(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 680139
1-[1-(2-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 6471615
3-(2,3-dihydroindol-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 4296166
(3S)-1-(2-butoxyphenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 7456194
(3R)-1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 732451
1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)pyrrolidine-2,5-dione
CID 3152007
(3R)-1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)pyrrolidine-2,5-dione
CID 1078959
1-(2-ethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 43844668
1-(2-methoxyphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 13220404
1-(2-ethoxyphenyl)-2-methylpiperidin-4-one
CID 54975575
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
CID 8703661

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-ethoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-ethoxyphenyl)pyrrolidine-2,5-dione (CID 1182440) is (3R)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-ethoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-ethoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-ethoxyphenyl)pyrrolidine-2,5-dione is CCOc1ccccc1N1C(=O)C[C@@H](N2CCCc3ccccc32)C1=O.
What is the InChIKey of (3R)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-ethoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is OZNNSALVFLXTMW-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-2-26-19-12-6-5-11-17(19)23-20(24)14-18(21(23)25)22-13-7-9-15-8-3-4-10-16(15)22/h3-6,8,10-12,18H,2,7,9,13-14H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-ethoxyphenyl)pyrrolidine-2,5-dione?
(3R)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-ethoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 350.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-ethoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 1182440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).