(9R)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione;(9S)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione

C50H42Br2N4O6 — CID 139201915

IUPAC(9R)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione;(9S)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione
SMILESCc1ccc([C@@H]2C3=C(CCCC3=O)N(c3ccc(Br)cc3)C3=C2C(=O)N(C)C3=O)cc1.Cc1ccc([C@H]2C3=C(CCCC3=O)N(c3ccc(Br)cc3)C3=C2C(=O)N(C)C3=O)cc1
InChIInChI=1S/2C25H21BrN2O3/c2*1-14-6-8-15(9-7-14)20-21-18(4-3-5-19(21)29)28(17-12-10-16(26)11-13-17)23-22(20)24(30)27(2)25(23)31/h2*6-13,20H,3-5H2,1-2H3/t2*20-/m10/s1
InChIKeyPRQACKUWXMEFNJ-ZCLATKBISA-N
MW954.72 g/mol
LogP9.24
Rot. Bonds4

About (9R)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione;(9S)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione

(9R)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione;(9S)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione (PubChem CID 139201915) has the molecular formula C50H42Br2N4O6 and a molecular weight of 954.72 g/mol. Its IUPAC name is (9R)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione;(9S)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione.

Molecular Properties

Compound Name(9R)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione;(9S)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione
PubChem CID139201915
Molecular FormulaC50H42Br2N4O6
Molecular Weight954.72 g/mol
Exact Mass952.15
IUPAC Name(9R)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione;(9S)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione
SMILESCc1ccc([C@@H]2C3=C(CCCC3=O)N(c3ccc(Br)cc3)C3=C2C(=O)N(C)C3=O)cc1.Cc1ccc([C@H]2C3=C(CCCC3=O)N(c3ccc(Br)cc3)C3=C2C(=O)N(C)C3=O)cc1
InChIInChI=1S/2C25H21BrN2O3/c2*1-14-6-8-15(9-7-14)20-21-18(4-3-5-19(21)29)28(17-12-10-16(26)11-13-17)23-22(20)24(30)27(2)25(23)31/h2*6-13,20H,3-5H2,1-2H3/t2*20-/m10/s1
InChIKeyPRQACKUWXMEFNJ-ZCLATKBISA-N
XLogP9.24
TPSA115.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.72
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (9R)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione;(9S)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione with MolForge

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Related Compounds

9,9'-(1,4-Phenylene)bis(10-(4-bromophenyl)-3,3,6,6-tetramethyl-3,4,6,7-tetrahydroacridine-1,8(2h,5h,9h,10h)-dione)
CID 76312152
2-Benzyl-4-(4-bromophenyl)-9-(4-fluorophenyl)-5,6,7,9-tetrahydro-1h-pyrrolo[3,4-b]quinoline-1,3,8(2h,4h)-trione
CID 132281141
2-Benzyl-4-(4-bromophenyl)-6,6-dimethyl-9-(4-methylphenyl)-5,6,7,9-tetrahydro-1h-pyrrolo[3,4-b]quinoline-1,3,8(2h,4h)-trione
CID 132277926
2-Benzyl-4-(4-bromophenyl)-6,6-dimethyl-9-phenyl-5,6,7,9-tetrahydro-1h-pyrrolo[3,4-b]quinoline-1,3,8(2h,4h)-trione
CID 132279643
4-(4-Bromophenyl)-2,6,6-trimethyl-9-(3-nitrophenyl)-5,6,7,9-tetrahydro-1h-pyrrolo[3,4-b]quinoline-1,3,8(2h,4h)-trione
CID 132279680
4-(4-Bromophenyl)-2,6,6-trimethyl-9-(4-nitrophenyl)-5,6,7,9-tetrahydro-1h-pyrrolo[3,4-b]quinoline-1,3,8(2h,4h)-trione
CID 132281381
2-Benzyl-4-(4-bromophenyl)-6,6-dimethyl-9-(4-nitrophenyl)-5,6,7,9-tetrahydro-1h-pyrrolo[3,4-b]quinoline-1,3,8(2h,4h)-trione
CID 132281524
(3S)-5-acetyl-1-(4-bromophenyl)-3,6-dimethyl-3-(4-methylphenyl)-4H-pyridin-2-one;(3R)-5-acetyl-1-(4-bromophenyl)-3,6-dimethyl-3-(4-methylphenyl)-4H-pyridin-2-one
CID 139123960
10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-(4-phenylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 139241883
10-(4-bromophenyl)-9-[4-[10-(4-bromophenyl)-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl]phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 139241887
1,4-Bis(4-bromophenyl)-3,6-bis(4-tert-butylphenyl)pyrrolo[3,2-b]pyrrole-2,5-dione
CID 101581953
1-(4-bromophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574434

Frequently Asked Questions

What is the IUPAC name of (9R)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione;(9S)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione?
The IUPAC name of (9R)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione;(9S)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione (CID 139201915) is (9R)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione;(9S)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione.
What is the SMILES notation for (9R)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione;(9S)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione?
The canonical SMILES for (9R)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione;(9S)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione is Cc1ccc([C@@H]2C3=C(CCCC3=O)N(c3ccc(Br)cc3)C3=C2C(=O)N(C)C3=O)cc1.Cc1ccc([C@H]2C3=C(CCCC3=O)N(c3ccc(Br)cc3)C3=C2C(=O)N(C)C3=O)cc1.
What is the InChIKey of (9R)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione;(9S)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione?
The InChIKey is PRQACKUWXMEFNJ-ZCLATKBISA-N. The full InChI is InChI=1S/2C25H21BrN2O3/c2*1-14-6-8-15(9-7-14)20-21-18(4-3-5-19(21)29)28(17-12-10-16(26)11-13-17)23-22(20)24(30)27(2)25(23)31/h2*6-13,20H,3-5H2,1-2H3/t2*20-/m10/s1.
What are the key properties of (9R)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione;(9S)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione?
(9R)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione;(9S)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione has a molecular weight of 954.72 g/mol, XLogP of 9.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione;(9S)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione is sourced from PubChem (CID 139201915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).