6-cyclopentyl-4-hydroxy-3-(4-methylphenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione

C24H21NO4S — CID 59241231

IUPAC6-cyclopentyl-4-hydroxy-3-(4-methylphenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione
SMILESCc1ccc(Sc2c(O)c3c(=O)n(C4CCCC4)c4ccccc4c3oc2=O)cc1
InChIInChI=1S/C24H21NO4S/c1-14-10-12-16(13-11-14)30-22-20(26)19-21(29-24(22)28)17-8-4-5-9-18(17)25(23(19)27)15-6-2-3-7-15/h4-5,8-13,15,26H,2-3,6-7H2,1H3
InChIKeyDIOARABZPDLYJH-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.39
Rot. Bonds3

About 6-cyclopentyl-4-hydroxy-3-(4-methylphenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione

6-cyclopentyl-4-hydroxy-3-(4-methylphenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione (PubChem CID 59241231) has the molecular formula C24H21NO4S and a molecular weight of 419.50 g/mol. Its IUPAC name is 6-cyclopentyl-4-hydroxy-3-(4-methylphenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name6-cyclopentyl-4-hydroxy-3-(4-methylphenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione
PubChem CID59241231
Molecular FormulaC24H21NO4S
Molecular Weight419.50 g/mol
Exact Mass419.12
IUPAC Name6-cyclopentyl-4-hydroxy-3-(4-methylphenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione
SMILESCc1ccc(Sc2c(O)c3c(=O)n(C4CCCC4)c4ccccc4c3oc2=O)cc1
InChIInChI=1S/C24H21NO4S/c1-14-10-12-16(13-11-14)30-22-20(26)19-21(29-24(22)28)17-8-4-5-9-18(17)25(23(19)27)15-6-2-3-7-15/h4-5,8-13,15,26H,2-3,6-7H2,1H3
InChIKeyDIOARABZPDLYJH-UHFFFAOYSA-N
XLogP5.39
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-4-hydroxy-3-(4-methylphenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 6-cyclopentyl-4-hydroxy-3-(4-methylphenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione (CID 59241231) is 6-cyclopentyl-4-hydroxy-3-(4-methylphenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 6-cyclopentyl-4-hydroxy-3-(4-methylphenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 6-cyclopentyl-4-hydroxy-3-(4-methylphenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione is Cc1ccc(Sc2c(O)c3c(=O)n(C4CCCC4)c4ccccc4c3oc2=O)cc1.
What is the InChIKey of 6-cyclopentyl-4-hydroxy-3-(4-methylphenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is DIOARABZPDLYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4S/c1-14-10-12-16(13-11-14)30-22-20(26)19-21(29-24(22)28)17-8-4-5-9-18(17)25(23(19)27)15-6-2-3-7-15/h4-5,8-13,15,26H,2-3,6-7H2,1H3.
What are the key properties of 6-cyclopentyl-4-hydroxy-3-(4-methylphenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione?
6-cyclopentyl-4-hydroxy-3-(4-methylphenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 419.50 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-4-hydroxy-3-(4-methylphenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 59241231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).