(3E)-3-(5,5-dimethyl-4-quinolin-6-yloxolan-2-ylidene)-6-fluoro-1H-indol-2-one

C23H19FN2O2 — CID 129265049

IUPAC(3E)-3-(5,5-dimethyl-4-quinolin-6-yloxolan-2-ylidene)-6-fluoro-1H-indol-2-one
SMILESCC1(C)O/C(=C2/C(=O)Nc3cc(F)ccc32)CC1c1ccc2ncccc2c1
InChIInChI=1S/C23H19FN2O2/c1-23(2)17(13-5-8-18-14(10-13)4-3-9-25-18)12-20(28-23)21-16-7-6-15(24)11-19(16)26-22(21)27/h3-11,17H,12H2,1-2H3,(H,26,27)/b21-20+
InChIKeyUQZORBYQWACUIL-QZQOTICOSA-N
MW374.42 g/mol
LogP5.02
Rot. Bonds1

About (3E)-3-(5,5-dimethyl-4-quinolin-6-yloxolan-2-ylidene)-6-fluoro-1H-indol-2-one

(3E)-3-(5,5-dimethyl-4-quinolin-6-yloxolan-2-ylidene)-6-fluoro-1H-indol-2-one (PubChem CID 129265049) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is (3E)-3-(5,5-dimethyl-4-quinolin-6-yloxolan-2-ylidene)-6-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-(5,5-dimethyl-4-quinolin-6-yloxolan-2-ylidene)-6-fluoro-1H-indol-2-one
PubChem CID129265049
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name(3E)-3-(5,5-dimethyl-4-quinolin-6-yloxolan-2-ylidene)-6-fluoro-1H-indol-2-one
SMILESCC1(C)O/C(=C2/C(=O)Nc3cc(F)ccc32)CC1c1ccc2ncccc2c1
InChIInChI=1S/C23H19FN2O2/c1-23(2)17(13-5-8-18-14(10-13)4-3-9-25-18)12-20(28-23)21-16-7-6-15(24)11-19(16)26-22(21)27/h3-11,17H,12H2,1-2H3,(H,26,27)/b21-20+
InChIKeyUQZORBYQWACUIL-QZQOTICOSA-N
XLogP5.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(5,5-dimethyl-4-quinolin-6-yloxolan-2-ylidene)-6-fluoro-1H-indol-2-one?
The IUPAC name of (3E)-3-(5,5-dimethyl-4-quinolin-6-yloxolan-2-ylidene)-6-fluoro-1H-indol-2-one (CID 129265049) is (3E)-3-(5,5-dimethyl-4-quinolin-6-yloxolan-2-ylidene)-6-fluoro-1H-indol-2-one.
What is the SMILES notation for (3E)-3-(5,5-dimethyl-4-quinolin-6-yloxolan-2-ylidene)-6-fluoro-1H-indol-2-one?
The canonical SMILES for (3E)-3-(5,5-dimethyl-4-quinolin-6-yloxolan-2-ylidene)-6-fluoro-1H-indol-2-one is CC1(C)O/C(=C2/C(=O)Nc3cc(F)ccc32)CC1c1ccc2ncccc2c1.
What is the InChIKey of (3E)-3-(5,5-dimethyl-4-quinolin-6-yloxolan-2-ylidene)-6-fluoro-1H-indol-2-one?
The InChIKey is UQZORBYQWACUIL-QZQOTICOSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-23(2)17(13-5-8-18-14(10-13)4-3-9-25-18)12-20(28-23)21-16-7-6-15(24)11-19(16)26-22(21)27/h3-11,17H,12H2,1-2H3,(H,26,27)/b21-20+.
What are the key properties of (3E)-3-(5,5-dimethyl-4-quinolin-6-yloxolan-2-ylidene)-6-fluoro-1H-indol-2-one?
(3E)-3-(5,5-dimethyl-4-quinolin-6-yloxolan-2-ylidene)-6-fluoro-1H-indol-2-one has a molecular weight of 374.42 g/mol, XLogP of 5.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(5,5-dimethyl-4-quinolin-6-yloxolan-2-ylidene)-6-fluoro-1H-indol-2-one is sourced from PubChem (CID 129265049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).