6-methyl-4-(quinoxalin-2-ylsulfanylmethyl)chromen-2-one

C19H14N2O2S — CID 5003481

IUPAC6-methyl-4-(quinoxalin-2-ylsulfanylmethyl)chromen-2-one
SMILESCc1ccc2oc(=O)cc(CSc3cnc4ccccc4n3)c2c1
InChIInChI=1S/C19H14N2O2S/c1-12-6-7-17-14(8-12)13(9-19(22)23-17)11-24-18-10-20-15-4-2-3-5-16(15)21-18/h2-10H,11H2,1H3
InChIKeyFHYPXUAPIXOJDY-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.34
Rot. Bonds3

About 6-methyl-4-(quinoxalin-2-ylsulfanylmethyl)chromen-2-one

6-methyl-4-(quinoxalin-2-ylsulfanylmethyl)chromen-2-one (PubChem CID 5003481) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 6-methyl-4-(quinoxalin-2-ylsulfanylmethyl)chromen-2-one.

Molecular Properties

Compound Name6-methyl-4-(quinoxalin-2-ylsulfanylmethyl)chromen-2-one
PubChem CID5003481
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name6-methyl-4-(quinoxalin-2-ylsulfanylmethyl)chromen-2-one
SMILESCc1ccc2oc(=O)cc(CSc3cnc4ccccc4n3)c2c1
InChIInChI=1S/C19H14N2O2S/c1-12-6-7-17-14(8-12)13(9-19(22)23-17)11-24-18-10-20-15-4-2-3-5-16(15)21-18/h2-10H,11H2,1H3
InChIKeyFHYPXUAPIXOJDY-UHFFFAOYSA-N
XLogP4.34
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(quinoxalin-2-ylsulfanylmethyl)chromen-2-one?
The IUPAC name of 6-methyl-4-(quinoxalin-2-ylsulfanylmethyl)chromen-2-one (CID 5003481) is 6-methyl-4-(quinoxalin-2-ylsulfanylmethyl)chromen-2-one.
What is the SMILES notation for 6-methyl-4-(quinoxalin-2-ylsulfanylmethyl)chromen-2-one?
The canonical SMILES for 6-methyl-4-(quinoxalin-2-ylsulfanylmethyl)chromen-2-one is Cc1ccc2oc(=O)cc(CSc3cnc4ccccc4n3)c2c1.
What is the InChIKey of 6-methyl-4-(quinoxalin-2-ylsulfanylmethyl)chromen-2-one?
The InChIKey is FHYPXUAPIXOJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c1-12-6-7-17-14(8-12)13(9-19(22)23-17)11-24-18-10-20-15-4-2-3-5-16(15)21-18/h2-10H,11H2,1H3.
What are the key properties of 6-methyl-4-(quinoxalin-2-ylsulfanylmethyl)chromen-2-one?
6-methyl-4-(quinoxalin-2-ylsulfanylmethyl)chromen-2-one has a molecular weight of 334.40 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(quinoxalin-2-ylsulfanylmethyl)chromen-2-one is sourced from PubChem (CID 5003481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).