6-bromo-1-(2,3,8-trimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]

C24H25BrN2O — CID 67285342

IUPAC6-bromo-1-(2,3,8-trimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]
SMILESCc1nc2c(C)cccc2c(N2CC3(CCOCC3)c3ccc(Br)cc32)c1C
InChIInChI=1S/C24H25BrN2O/c1-15-5-4-6-19-22(15)26-17(3)16(2)23(19)27-14-24(9-11-28-12-10-24)20-8-7-18(25)13-21(20)27/h4-8,13H,9-12,14H2,1-3H3
InChIKeyVZYXYFHIDPCRNH-UHFFFAOYSA-N
MW437.38 g/mol
LogP6.12
Rot. Bonds1

About 6-bromo-1-(2,3,8-trimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]

6-bromo-1-(2,3,8-trimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane] (PubChem CID 67285342) has the molecular formula C24H25BrN2O and a molecular weight of 437.38 g/mol. Its IUPAC name is 6-bromo-1-(2,3,8-trimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane].

Molecular Properties

Compound Name6-bromo-1-(2,3,8-trimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]
PubChem CID67285342
Molecular FormulaC24H25BrN2O
Molecular Weight437.38 g/mol
Exact Mass436.12
IUPAC Name6-bromo-1-(2,3,8-trimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]
SMILESCc1nc2c(C)cccc2c(N2CC3(CCOCC3)c3ccc(Br)cc32)c1C
InChIInChI=1S/C24H25BrN2O/c1-15-5-4-6-19-22(15)26-17(3)16(2)23(19)27-14-24(9-11-28-12-10-24)20-8-7-18(25)13-21(20)27/h4-8,13H,9-12,14H2,1-3H3
InChIKeyVZYXYFHIDPCRNH-UHFFFAOYSA-N
XLogP6.12
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.38
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-bromo-1-(2,3,8-trimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane] 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 6-bromo-1-(2,3,8-trimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]?
The IUPAC name of 6-bromo-1-(2,3,8-trimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane] (CID 67285342) is 6-bromo-1-(2,3,8-trimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane].
What is the SMILES notation for 6-bromo-1-(2,3,8-trimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]?
The canonical SMILES for 6-bromo-1-(2,3,8-trimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane] is Cc1nc2c(C)cccc2c(N2CC3(CCOCC3)c3ccc(Br)cc32)c1C.
What is the InChIKey of 6-bromo-1-(2,3,8-trimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]?
The InChIKey is VZYXYFHIDPCRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2O/c1-15-5-4-6-19-22(15)26-17(3)16(2)23(19)27-14-24(9-11-28-12-10-24)20-8-7-18(25)13-21(20)27/h4-8,13H,9-12,14H2,1-3H3.
What are the key properties of 6-bromo-1-(2,3,8-trimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]?
6-bromo-1-(2,3,8-trimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane] has a molecular weight of 437.38 g/mol, XLogP of 6.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(2,3,8-trimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane] is sourced from PubChem (CID 67285342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).