(3R,4R)-3-methyl-4-[(4-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione

C22H20N2O2 — CID 738132

IUPAC(3R,4R)-3-methyl-4-[(4-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione
SMILESCc1ccc(C[C@H]2C(=O)N(c3ccc4ccccc4n3)C(=O)[C@@H]2C)cc1
InChIInChI=1S/C22H20N2O2/c1-14-7-9-16(10-8-14)13-18-15(2)21(25)24(22(18)26)20-12-11-17-5-3-4-6-19(17)23-20/h3-12,15,18H,13H2,1-2H3/t15-,18-/m1/s1
InChIKeyCMDBAZUQAJAMKH-CRAIPNDOSA-N
MW344.41 g/mol
LogP3.91
Rot. Bonds3

About (3R,4R)-3-methyl-4-[(4-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione

(3R,4R)-3-methyl-4-[(4-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione (PubChem CID 738132) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is (3R,4R)-3-methyl-4-[(4-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4R)-3-methyl-4-[(4-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione
PubChem CID738132
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name(3R,4R)-3-methyl-4-[(4-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione
SMILESCc1ccc(C[C@H]2C(=O)N(c3ccc4ccccc4n3)C(=O)[C@@H]2C)cc1
InChIInChI=1S/C22H20N2O2/c1-14-7-9-16(10-8-14)13-18-15(2)21(25)24(22(18)26)20-12-11-17-5-3-4-6-19(17)23-20/h3-12,15,18H,13H2,1-2H3/t15-,18-/m1/s1
InChIKeyCMDBAZUQAJAMKH-CRAIPNDOSA-N
XLogP3.91
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-1-(5-chloro-2-pyridinyl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 98445526
4-[(3R,4R)-3-methyl-4-[(4-methylphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 768937
(3S)-3-benzyl-1-quinolin-2-ylpyrrolidine-2,5-dione
CID 744203
3-[(3-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione
CID 2893153
(3S,4S)-3-methyl-4-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 1108196
(2S)-2-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 947701
(3R)-3-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one
CID 121471369
1-quinolin-2-yl-3H-indol-2-one
CID 174510331
(3S)-3-[(4-methylphenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione
CID 846261
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889
(6-methyl-4-quinolin-2-ylmorpholin-2-yl)methanol
CID 102935336
(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 6935576

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methyl-4-[(4-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione?
The IUPAC name of (3R,4R)-3-methyl-4-[(4-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione (CID 738132) is (3R,4R)-3-methyl-4-[(4-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4R)-3-methyl-4-[(4-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for (3R,4R)-3-methyl-4-[(4-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione is Cc1ccc(C[C@H]2C(=O)N(c3ccc4ccccc4n3)C(=O)[C@@H]2C)cc1.
What is the InChIKey of (3R,4R)-3-methyl-4-[(4-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione?
The InChIKey is CMDBAZUQAJAMKH-CRAIPNDOSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-14-7-9-16(10-8-14)13-18-15(2)21(25)24(22(18)26)20-12-11-17-5-3-4-6-19(17)23-20/h3-12,15,18H,13H2,1-2H3/t15-,18-/m1/s1.
What are the key properties of (3R,4R)-3-methyl-4-[(4-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione?
(3R,4R)-3-methyl-4-[(4-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione has a molecular weight of 344.41 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methyl-4-[(4-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 738132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).