1-(9H-fluoren-2-yl)-2-(7-methoxyquinolin-4-yl)sulfanylethanone

C25H19NO2S — CID 18790572

IUPAC1-(9H-fluoren-2-yl)-2-(7-methoxyquinolin-4-yl)sulfanylethanone
SMILESCOc1ccc2c(SCC(=O)c3ccc4c(c3)Cc3ccccc3-4)ccnc2c1
InChIInChI=1S/C25H19NO2S/c1-28-19-7-9-22-23(14-19)26-11-10-25(22)29-15-24(27)17-6-8-21-18(13-17)12-16-4-2-3-5-20(16)21/h2-11,13-14H,12,15H2,1H3
InChIKeyPQTSEQFEUAEWCU-UHFFFAOYSA-N
MW397.50 g/mol
LogP5.79
Rot. Bonds5

About 1-(9H-fluoren-2-yl)-2-(7-methoxyquinolin-4-yl)sulfanylethanone

1-(9H-fluoren-2-yl)-2-(7-methoxyquinolin-4-yl)sulfanylethanone (PubChem CID 18790572) has the molecular formula C25H19NO2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-(9H-fluoren-2-yl)-2-(7-methoxyquinolin-4-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(9H-fluoren-2-yl)-2-(7-methoxyquinolin-4-yl)sulfanylethanone
PubChem CID18790572
Molecular FormulaC25H19NO2S
Molecular Weight397.50 g/mol
Exact Mass397.11
IUPAC Name1-(9H-fluoren-2-yl)-2-(7-methoxyquinolin-4-yl)sulfanylethanone
SMILESCOc1ccc2c(SCC(=O)c3ccc4c(c3)Cc3ccccc3-4)ccnc2c1
InChIInChI=1S/C25H19NO2S/c1-28-19-7-9-22-23(14-19)26-11-10-25(22)29-15-24(27)17-6-8-21-18(13-17)12-16-4-2-3-5-20(16)21/h2-11,13-14H,12,15H2,1H3
InChIKeyPQTSEQFEUAEWCU-UHFFFAOYSA-N
XLogP5.79
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-2-yl)-2-(7-methoxyquinolin-4-yl)sulfanylethanone?
The IUPAC name of 1-(9H-fluoren-2-yl)-2-(7-methoxyquinolin-4-yl)sulfanylethanone (CID 18790572) is 1-(9H-fluoren-2-yl)-2-(7-methoxyquinolin-4-yl)sulfanylethanone.
What is the SMILES notation for 1-(9H-fluoren-2-yl)-2-(7-methoxyquinolin-4-yl)sulfanylethanone?
The canonical SMILES for 1-(9H-fluoren-2-yl)-2-(7-methoxyquinolin-4-yl)sulfanylethanone is COc1ccc2c(SCC(=O)c3ccc4c(c3)Cc3ccccc3-4)ccnc2c1.
What is the InChIKey of 1-(9H-fluoren-2-yl)-2-(7-methoxyquinolin-4-yl)sulfanylethanone?
The InChIKey is PQTSEQFEUAEWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO2S/c1-28-19-7-9-22-23(14-19)26-11-10-25(22)29-15-24(27)17-6-8-21-18(13-17)12-16-4-2-3-5-20(16)21/h2-11,13-14H,12,15H2,1H3.
What are the key properties of 1-(9H-fluoren-2-yl)-2-(7-methoxyquinolin-4-yl)sulfanylethanone?
1-(9H-fluoren-2-yl)-2-(7-methoxyquinolin-4-yl)sulfanylethanone has a molecular weight of 397.50 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-2-yl)-2-(7-methoxyquinolin-4-yl)sulfanylethanone is sourced from PubChem (CID 18790572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).