(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione

C19H18N2O2 — CID 680139

IUPAC(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCCc3ccccc32)C(=O)N1c1ccccc1
InChIInChI=1S/C19H18N2O2/c22-18-13-17(19(23)21(18)15-9-2-1-3-10-15)20-12-6-8-14-7-4-5-11-16(14)20/h1-5,7,9-11,17H,6,8,12-13H2/t17-/m0/s1
InChIKeyKAFRCVXCWWINGV-KRWDZBQOSA-N
MW306.37 g/mol
LogP2.77
Rot. Bonds2

About (3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione

(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione (PubChem CID 680139) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione
PubChem CID680139
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCCc3ccccc32)C(=O)N1c1ccccc1
InChIInChI=1S/C19H18N2O2/c22-18-13-17(19(23)21(18)15-9-2-1-3-10-15)20-12-6-8-14-7-4-5-11-16(14)20/h1-5,7,9-11,17H,6,8,12-13H2/t17-/m0/s1
InChIKeyKAFRCVXCWWINGV-KRWDZBQOSA-N
XLogP2.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione 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

3-(2,3-dihydroindol-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 4296166
(3R)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-ethoxyphenyl)pyrrolidine-2,5-dione
CID 1182440
3-(2,3-dihydroindol-1-yl)-1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 3152006
4-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzenesulfinic acid
CID 58215306
(3S)-3-(2,3-dihydroindol-1-yl)-1-(4-fluoro-3-nitrophenyl)pyrrolidine-2,5-dione
CID 1422426
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
4-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperazine-1-carbaldehyde
CID 2877126
1,2,3a,4-tetrahydropyrrolo[1,2-a]indol-3-one
CID 167313251
1-(4-phenylsulfanylphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 13220406
3-chloro-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 19920996
(3R)-1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1035324

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione (CID 680139) is (3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione is O=C1C[C@H](N2CCCc3ccccc32)C(=O)N1c1ccccc1.
What is the InChIKey of (3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is KAFRCVXCWWINGV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-18-13-17(19(23)21(18)15-9-2-1-3-10-15)20-12-6-8-14-7-4-5-11-16(14)20/h1-5,7,9-11,17H,6,8,12-13H2/t17-/m0/s1.
What are the key properties of (3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione?
(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione has a molecular weight of 306.37 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 680139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).