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

C25H24ClN3O2 — CID 67285125

IUPAC1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]-6-carbonitrile
SMILESCOc1cc2nc(C)c(C)c(N3CC4(CCOCC4)c4ccc(C#N)cc43)c2cc1Cl
InChIInChI=1S/C25H24ClN3O2/c1-15-16(2)28-21-12-23(30-3)20(26)11-18(21)24(15)29-14-25(6-8-31-9-7-25)19-5-4-17(13-27)10-22(19)29/h4-5,10-12H,6-9,14H2,1-3H3
InChIKeyLSZVSPWRMSACRC-UHFFFAOYSA-N
MW433.94 g/mol
LogP5.59
Rot. Bonds2

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

1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]-6-carbonitrile (PubChem CID 67285125) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is 1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]-6-carbonitrile.

Molecular Properties

Compound Name1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]-6-carbonitrile
PubChem CID67285125
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC Name1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]-6-carbonitrile
SMILESCOc1cc2nc(C)c(C)c(N3CC4(CCOCC4)c4ccc(C#N)cc43)c2cc1Cl
InChIInChI=1S/C25H24ClN3O2/c1-15-16(2)28-21-12-23(30-3)20(26)11-18(21)24(15)29-14-25(6-8-31-9-7-25)19-5-4-17(13-27)10-22(19)29/h4-5,10-12H,6-9,14H2,1-3H3
InChIKeyLSZVSPWRMSACRC-UHFFFAOYSA-N
XLogP5.59
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]-6-carbonitrile?
The IUPAC name of 1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]-6-carbonitrile (CID 67285125) is 1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]-6-carbonitrile.
What is the SMILES notation for 1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]-6-carbonitrile?
The canonical SMILES for 1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]-6-carbonitrile is COc1cc2nc(C)c(C)c(N3CC4(CCOCC4)c4ccc(C#N)cc43)c2cc1Cl.
What is the InChIKey of 1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]-6-carbonitrile?
The InChIKey is LSZVSPWRMSACRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c1-15-16(2)28-21-12-23(30-3)20(26)11-18(21)24(15)29-14-25(6-8-31-9-7-25)19-5-4-17(13-27)10-22(19)29/h4-5,10-12H,6-9,14H2,1-3H3.
What are the key properties of 1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]-6-carbonitrile?
1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]-6-carbonitrile has a molecular weight of 433.94 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)spiro[2H-indole-3,4'-oxane]-6-carbonitrile is sourced from PubChem (CID 67285125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).