5-(8-cyano-2-methoxy-5-methyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride

C23H15FN4O4S — CID 170297206

IUPAC5-(8-cyano-2-methoxy-5-methyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride
SMILESCOc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C)c2cc1-c1cncc(S(=O)(=O)F)c1
InChIInChI=1S/C23H15FN4O4S/c1-28-19-7-16(13-6-14(11-26-10-13)33(24,30)31)20(32-2)8-17(19)22(29)21-15-4-3-12(9-25)5-18(15)27-23(21)28/h3-8,10-11,27H,1-2H3
InChIKeyNITLORKDKDVOSM-UHFFFAOYSA-N
MW462.46 g/mol
LogP3.77
Rot. Bonds3

About 5-(8-cyano-2-methoxy-5-methyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride

5-(8-cyano-2-methoxy-5-methyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride (PubChem CID 170297206) has the molecular formula C23H15FN4O4S and a molecular weight of 462.46 g/mol. Its IUPAC name is 5-(8-cyano-2-methoxy-5-methyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-(8-cyano-2-methoxy-5-methyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride
PubChem CID170297206
Molecular FormulaC23H15FN4O4S
Molecular Weight462.46 g/mol
Exact Mass462.08
IUPAC Name5-(8-cyano-2-methoxy-5-methyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride
SMILESCOc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C)c2cc1-c1cncc(S(=O)(=O)F)c1
InChIInChI=1S/C23H15FN4O4S/c1-28-19-7-16(13-6-14(11-26-10-13)33(24,30)31)20(32-2)8-17(19)22(29)21-15-4-3-12(9-25)5-18(15)27-23(21)28/h3-8,10-11,27H,1-2H3
InChIKeyNITLORKDKDVOSM-UHFFFAOYSA-N
XLogP3.77
TPSA117.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 5-(8-cyano-2-methoxy-5-methyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride with MolForge

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Related Compounds

5-(2-ethoxy-8-ethynyl-5-methyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride
CID 170295384
8-ethynyl-3-(5-fluorosulfonyloxy-3-pyridinyl)-2-methoxy-5-methyl-11-oxo-6H-indolo[2,3-b]quinoline
CID 170295559
5-[8-cyano-2-ethoxy-5-(1-methylpiperidin-4-yl)-11-oxo-6H-indolo[2,3-b]quinolin-3-yl]pyridine-3-sulfonyl fluoride
CID 170297657
5-[8-cyano-5-cyclohexyl-11-oxo-2-(trifluoromethoxy)-6H-indolo[2,3-b]quinolin-3-yl]pyridine-3-sulfonyl fluoride
CID 170297477
5-(8-cyano-5-cyclopropyl-11-oxo-2-propan-2-yl-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride
CID 170297322
3-[8-cyano-5-methyl-2-(2-methylpropoxy)-11-oxo-6H-indolo[2,3-b]quinolin-3-yl]benzenesulfonyl fluoride
CID 170295975
5-(8-cyano-2-ethyl-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride
CID 170297149
5-(8-cyano-5-cyclopentyl-2-ethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride
CID 170297401
5-(8-cyano-2-ethyl-11-oxo-5-piperidin-4-yl-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride
CID 170297595
5-[8-cyano-5-ethyl-2-(2-methylpropyl)-11-oxo-6H-indolo[2,3-b]quinolin-3-yl]pyridine-3-sulfonyl fluoride
CID 170297235
5-[5-(azetidin-3-yl)-8-cyano-2-(2-methylpropyl)-11-oxo-6H-indolo[2,3-b]quinolin-3-yl]pyridine-3-sulfonyl fluoride
CID 170297493
8-cyano-3-(5-fluorosulfonyloxy-3-pyridinyl)-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinoline
CID 170297767

Frequently Asked Questions

What is the IUPAC name of 5-(8-cyano-2-methoxy-5-methyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride?
The IUPAC name of 5-(8-cyano-2-methoxy-5-methyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride (CID 170297206) is 5-(8-cyano-2-methoxy-5-methyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride.
What is the SMILES notation for 5-(8-cyano-2-methoxy-5-methyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride?
The canonical SMILES for 5-(8-cyano-2-methoxy-5-methyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride is COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C)c2cc1-c1cncc(S(=O)(=O)F)c1.
What is the InChIKey of 5-(8-cyano-2-methoxy-5-methyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride?
The InChIKey is NITLORKDKDVOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4O4S/c1-28-19-7-16(13-6-14(11-26-10-13)33(24,30)31)20(32-2)8-17(19)22(29)21-15-4-3-12(9-25)5-18(15)27-23(21)28/h3-8,10-11,27H,1-2H3.
What are the key properties of 5-(8-cyano-2-methoxy-5-methyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride?
5-(8-cyano-2-methoxy-5-methyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride has a molecular weight of 462.46 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-cyano-2-methoxy-5-methyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride is sourced from PubChem (CID 170297206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).