8-cyano-2-ethoxy-3-(3-fluorosulfonyloxyphenyl)-5-methyl-11-oxo-6H-indolo[2,3-b]quinoline

C25H18FN3O5S — CID 170296678

IUPAC8-cyano-2-ethoxy-3-(3-fluorosulfonyloxyphenyl)-5-methyl-11-oxo-6H-indolo[2,3-b]quinoline
SMILESCCOc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C)c2cc1-c1cccc(OS(=O)(=O)F)c1
InChIInChI=1S/C25H18FN3O5S/c1-3-33-22-12-19-21(11-18(22)15-5-4-6-16(10-15)34-35(26,31)32)29(2)25-23(24(19)30)17-8-7-14(13-27)9-20(17)28-25/h4-12,28H,3H2,1-2H3
InChIKeyQQAJGOROJSOZIY-UHFFFAOYSA-N
MW491.50 g/mol
LogP4.70
Rot. Bonds5

About 8-cyano-2-ethoxy-3-(3-fluorosulfonyloxyphenyl)-5-methyl-11-oxo-6H-indolo[2,3-b]quinoline

8-cyano-2-ethoxy-3-(3-fluorosulfonyloxyphenyl)-5-methyl-11-oxo-6H-indolo[2,3-b]quinoline (PubChem CID 170296678) has the molecular formula C25H18FN3O5S and a molecular weight of 491.50 g/mol. Its IUPAC name is 8-cyano-2-ethoxy-3-(3-fluorosulfonyloxyphenyl)-5-methyl-11-oxo-6H-indolo[2,3-b]quinoline.

Molecular Properties

Compound Name8-cyano-2-ethoxy-3-(3-fluorosulfonyloxyphenyl)-5-methyl-11-oxo-6H-indolo[2,3-b]quinoline
PubChem CID170296678
Molecular FormulaC25H18FN3O5S
Molecular Weight491.50 g/mol
Exact Mass491.10
IUPAC Name8-cyano-2-ethoxy-3-(3-fluorosulfonyloxyphenyl)-5-methyl-11-oxo-6H-indolo[2,3-b]quinoline
SMILESCCOc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C)c2cc1-c1cccc(OS(=O)(=O)F)c1
InChIInChI=1S/C25H18FN3O5S/c1-3-33-22-12-19-21(11-18(22)15-5-4-6-16(10-15)34-35(26,31)32)29(2)25-23(24(19)30)17-8-7-14(13-27)9-20(17)28-25/h4-12,28H,3H2,1-2H3
InChIKeyQQAJGOROJSOZIY-UHFFFAOYSA-N
XLogP4.70
TPSA114.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-cyano-2-ethoxy-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline
CID 170296711
8-cyano-2-ethoxy-3-(3-fluorosulfonyloxyphenyl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline
CID 170296630
2-butyl-8-cyano-3-(3-fluorosulfonyloxyphenyl)-5-methyl-11-oxo-6H-indolo[2,3-b]quinoline
CID 170296652
5-butyl-2-ethoxy-8-ethynyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline
CID 170295249
2-butoxy-8-cyano-5-cyclopropyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline
CID 170296772
3-[8-cyano-5-methyl-2-(2-methylpropoxy)-11-oxo-6H-indolo[2,3-b]quinolin-3-yl]benzenesulfonyl fluoride
CID 170295975
8-cyano-3-(3-fluorosulfonyloxyphenyl)-11-oxo-2,5-di(propan-2-yl)-6H-indolo[2,3-b]quinoline
CID 170296619
8-cyano-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-2-methyl-11-oxo-6H-indolo[2,3-b]quinoline
CID 170296701
2-butoxy-8-cyano-5-cyclohexyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline
CID 170296914
5-cyclopentyl-2-ethoxy-8-ethynyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline
CID 170295287
8-cyano-3-(3-fluorosulfonyloxyphenyl)-11-oxo-5-propan-2-yl-2-(trifluoromethoxy)-6H-indolo[2,3-b]quinoline
CID 170296643
8-cyano-5-cyclohexyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-2-(2,2,2-trifluoroethoxy)-6H-indolo[2,3-b]quinoline
CID 170296922

Frequently Asked Questions

What is the IUPAC name of 8-cyano-2-ethoxy-3-(3-fluorosulfonyloxyphenyl)-5-methyl-11-oxo-6H-indolo[2,3-b]quinoline?
The IUPAC name of 8-cyano-2-ethoxy-3-(3-fluorosulfonyloxyphenyl)-5-methyl-11-oxo-6H-indolo[2,3-b]quinoline (CID 170296678) is 8-cyano-2-ethoxy-3-(3-fluorosulfonyloxyphenyl)-5-methyl-11-oxo-6H-indolo[2,3-b]quinoline.
What is the SMILES notation for 8-cyano-2-ethoxy-3-(3-fluorosulfonyloxyphenyl)-5-methyl-11-oxo-6H-indolo[2,3-b]quinoline?
The canonical SMILES for 8-cyano-2-ethoxy-3-(3-fluorosulfonyloxyphenyl)-5-methyl-11-oxo-6H-indolo[2,3-b]quinoline is CCOc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C)c2cc1-c1cccc(OS(=O)(=O)F)c1.
What is the InChIKey of 8-cyano-2-ethoxy-3-(3-fluorosulfonyloxyphenyl)-5-methyl-11-oxo-6H-indolo[2,3-b]quinoline?
The InChIKey is QQAJGOROJSOZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O5S/c1-3-33-22-12-19-21(11-18(22)15-5-4-6-16(10-15)34-35(26,31)32)29(2)25-23(24(19)30)17-8-7-14(13-27)9-20(17)28-25/h4-12,28H,3H2,1-2H3.
What are the key properties of 8-cyano-2-ethoxy-3-(3-fluorosulfonyloxyphenyl)-5-methyl-11-oxo-6H-indolo[2,3-b]quinoline?
8-cyano-2-ethoxy-3-(3-fluorosulfonyloxyphenyl)-5-methyl-11-oxo-6H-indolo[2,3-b]quinoline has a molecular weight of 491.50 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyano-2-ethoxy-3-(3-fluorosulfonyloxyphenyl)-5-methyl-11-oxo-6H-indolo[2,3-b]quinoline is sourced from PubChem (CID 170296678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).