2-bromo-8-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline

C27H37Br2N — CID 91046352

IUPAC2-bromo-8-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline
SMILESCC1=Cc2c(Br)cccc2C1C(C)(C)C1C(C)CC2C(C)C3CCC(Br)NC3CC21
InChIInChI=1S/C27H37Br2N/c1-14-11-19-16(3)17-9-10-24(29)30-23(17)13-21(19)26(14)27(4,5)25-15(2)12-20-18(25)7-6-8-22(20)28/h6-8,12,14,16-17,19,21,23-26,30H,9-11,13H2,1-5H3
InChIKeyFSSDYSOMDMGSRG-UHFFFAOYSA-N
MW535.41 g/mol
LogP7.99
Rot. Bonds2

About 2-bromo-8-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline

2-bromo-8-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline (PubChem CID 91046352) has the molecular formula C27H37Br2N and a molecular weight of 535.41 g/mol. Its IUPAC name is 2-bromo-8-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline.

Molecular Properties

Compound Name2-bromo-8-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline
PubChem CID91046352
Molecular FormulaC27H37Br2N
Molecular Weight535.41 g/mol
Exact Mass533.13
IUPAC Name2-bromo-8-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline
SMILESCC1=Cc2c(Br)cccc2C1C(C)(C)C1C(C)CC2C(C)C3CCC(Br)NC3CC21
InChIInChI=1S/C27H37Br2N/c1-14-11-19-16(3)17-9-10-24(29)30-23(17)13-21(19)26(14)27(4,5)25-15(2)12-20-18(25)7-6-8-22(20)28/h6-8,12,14,16-17,19,21,23-26,30H,9-11,13H2,1-5H3
InChIKeyFSSDYSOMDMGSRG-UHFFFAOYSA-N
XLogP7.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.41
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-bromo-8-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline?
The IUPAC name of 2-bromo-8-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline (CID 91046352) is 2-bromo-8-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline.
What is the SMILES notation for 2-bromo-8-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline?
The canonical SMILES for 2-bromo-8-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline is CC1=Cc2c(Br)cccc2C1C(C)(C)C1C(C)CC2C(C)C3CCC(Br)NC3CC21.
What is the InChIKey of 2-bromo-8-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline?
The InChIKey is FSSDYSOMDMGSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37Br2N/c1-14-11-19-16(3)17-9-10-24(29)30-23(17)13-21(19)26(14)27(4,5)25-15(2)12-20-18(25)7-6-8-22(20)28/h6-8,12,14,16-17,19,21,23-26,30H,9-11,13H2,1-5H3.
What are the key properties of 2-bromo-8-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline?
2-bromo-8-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline has a molecular weight of 535.41 g/mol, XLogP of 7.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline is sourced from PubChem (CID 91046352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).