9-methoxy-6-sulfanylidene-5H-indeno[1,2-c]quinolin-11-one

C17H11NO2S — CID 52951043

IUPAC9-methoxy-6-sulfanylidene-5H-indeno[1,2-c]quinolin-11-one
SMILESCOc1ccc2c(c1)C(=O)c1c-2c(=S)[nH]c2ccccc12
InChIInChI=1S/C17H11NO2S/c1-20-9-6-7-10-12(8-9)16(19)14-11-4-2-3-5-13(11)18-17(21)15(10)14/h2-8H,1H3,(H,18,21)
InChIKeyCDUNJJROAPPPKB-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.12
Rot. Bonds1

About 9-methoxy-6-sulfanylidene-5H-indeno[1,2-c]quinolin-11-one

9-methoxy-6-sulfanylidene-5H-indeno[1,2-c]quinolin-11-one (PubChem CID 52951043) has the molecular formula C17H11NO2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 9-methoxy-6-sulfanylidene-5H-indeno[1,2-c]quinolin-11-one.

Molecular Properties

Compound Name9-methoxy-6-sulfanylidene-5H-indeno[1,2-c]quinolin-11-one
PubChem CID52951043
Molecular FormulaC17H11NO2S
Molecular Weight293.35 g/mol
Exact Mass293.05
IUPAC Name9-methoxy-6-sulfanylidene-5H-indeno[1,2-c]quinolin-11-one
SMILESCOc1ccc2c(c1)C(=O)c1c-2c(=S)[nH]c2ccccc12
InChIInChI=1S/C17H11NO2S/c1-20-9-6-7-10-12(8-9)16(19)14-11-4-2-3-5-13(11)18-17(21)15(10)14/h2-8H,1H3,(H,18,21)
InChIKeyCDUNJJROAPPPKB-UHFFFAOYSA-N
XLogP4.12
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-6-sulfanylidene-5H-indeno[1,2-c]quinolin-11-one?
The IUPAC name of 9-methoxy-6-sulfanylidene-5H-indeno[1,2-c]quinolin-11-one (CID 52951043) is 9-methoxy-6-sulfanylidene-5H-indeno[1,2-c]quinolin-11-one.
What is the SMILES notation for 9-methoxy-6-sulfanylidene-5H-indeno[1,2-c]quinolin-11-one?
The canonical SMILES for 9-methoxy-6-sulfanylidene-5H-indeno[1,2-c]quinolin-11-one is COc1ccc2c(c1)C(=O)c1c-2c(=S)[nH]c2ccccc12.
What is the InChIKey of 9-methoxy-6-sulfanylidene-5H-indeno[1,2-c]quinolin-11-one?
The InChIKey is CDUNJJROAPPPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2S/c1-20-9-6-7-10-12(8-9)16(19)14-11-4-2-3-5-13(11)18-17(21)15(10)14/h2-8H,1H3,(H,18,21).
What are the key properties of 9-methoxy-6-sulfanylidene-5H-indeno[1,2-c]quinolin-11-one?
9-methoxy-6-sulfanylidene-5H-indeno[1,2-c]quinolin-11-one has a molecular weight of 293.35 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-6-sulfanylidene-5H-indeno[1,2-c]quinolin-11-one is sourced from PubChem (CID 52951043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).