6-bromo-1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]

C24H24BrClN2O2 — CID 67285013

IUPAC6-bromo-1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]
SMILESCOc1cc2nc(C)c(C)c(N3CC4(CCOCC4)c4ccc(Br)cc43)c2cc1Cl
InChIInChI=1S/C24H24BrClN2O2/c1-14-15(2)27-20-12-22(29-3)19(26)11-17(20)23(14)28-13-24(6-8-30-9-7-24)18-5-4-16(25)10-21(18)28/h4-5,10-12H,6-9,13H2,1-3H3
InChIKeyZUZFBQLPDXNRIZ-UHFFFAOYSA-N
MW487.83 g/mol
LogP6.48
Rot. Bonds2

About 6-bromo-1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]

6-bromo-1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane] (PubChem CID 67285013) has the molecular formula C24H24BrClN2O2 and a molecular weight of 487.83 g/mol. Its IUPAC name is 6-bromo-1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane].

Molecular Properties

Compound Name6-bromo-1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]
PubChem CID67285013
Molecular FormulaC24H24BrClN2O2
Molecular Weight487.83 g/mol
Exact Mass486.07
IUPAC Name6-bromo-1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]
SMILESCOc1cc2nc(C)c(C)c(N3CC4(CCOCC4)c4ccc(Br)cc43)c2cc1Cl
InChIInChI=1S/C24H24BrClN2O2/c1-14-15(2)27-20-12-22(29-3)19(26)11-17(20)23(14)28-13-24(6-8-30-9-7-24)18-5-4-16(25)10-21(18)28/h4-5,10-12H,6-9,13H2,1-3H3
InChIKeyZUZFBQLPDXNRIZ-UHFFFAOYSA-N
XLogP6.48
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.83
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]?
The IUPAC name of 6-bromo-1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane] (CID 67285013) is 6-bromo-1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane].
What is the SMILES notation for 6-bromo-1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]?
The canonical SMILES for 6-bromo-1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane] is COc1cc2nc(C)c(C)c(N3CC4(CCOCC4)c4ccc(Br)cc43)c2cc1Cl.
What is the InChIKey of 6-bromo-1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]?
The InChIKey is ZUZFBQLPDXNRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrClN2O2/c1-14-15(2)27-20-12-22(29-3)19(26)11-17(20)23(14)28-13-24(6-8-30-9-7-24)18-5-4-16(25)10-21(18)28/h4-5,10-12H,6-9,13H2,1-3H3.
What are the key properties of 6-bromo-1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]?
6-bromo-1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane] has a molecular weight of 487.83 g/mol, XLogP of 6.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane] is sourced from PubChem (CID 67285013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).