4-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1H-furo[3,4-c]pyridin-3-one

C15H12ClNO2S — CID 715205

IUPAC4-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1H-furo[3,4-c]pyridin-3-one
SMILESCc1cc2c(c(SCc3ccc(Cl)cc3)n1)C(=O)OC2
InChIInChI=1S/C15H12ClNO2S/c1-9-6-11-7-19-15(18)13(11)14(17-9)20-8-10-2-4-12(16)5-3-10/h2-6H,7-8H2,1H3
InChIKeyBYLVBURPTMOZER-UHFFFAOYSA-N
MW305.79 g/mol
LogP4.01
Rot. Bonds3

About 4-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1H-furo[3,4-c]pyridin-3-one

4-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1H-furo[3,4-c]pyridin-3-one (PubChem CID 715205) has the molecular formula C15H12ClNO2S and a molecular weight of 305.79 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1H-furo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1H-furo[3,4-c]pyridin-3-one
PubChem CID715205
Molecular FormulaC15H12ClNO2S
Molecular Weight305.79 g/mol
Exact Mass305.03
IUPAC Name4-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1H-furo[3,4-c]pyridin-3-one
SMILESCc1cc2c(c(SCc3ccc(Cl)cc3)n1)C(=O)OC2
InChIInChI=1S/C15H12ClNO2S/c1-9-6-11-7-19-15(18)13(11)14(17-9)20-8-10-2-4-12(16)5-3-10/h2-6H,7-8H2,1H3
InChIKeyBYLVBURPTMOZER-UHFFFAOYSA-N
XLogP4.01
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1H-furo[3,4-c]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1H-furo[3,4-c]pyridin-3-one?
The IUPAC name of 4-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1H-furo[3,4-c]pyridin-3-one (CID 715205) is 4-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1H-furo[3,4-c]pyridin-3-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1H-furo[3,4-c]pyridin-3-one?
The canonical SMILES for 4-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1H-furo[3,4-c]pyridin-3-one is Cc1cc2c(c(SCc3ccc(Cl)cc3)n1)C(=O)OC2.
What is the InChIKey of 4-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1H-furo[3,4-c]pyridin-3-one?
The InChIKey is BYLVBURPTMOZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2S/c1-9-6-11-7-19-15(18)13(11)14(17-9)20-8-10-2-4-12(16)5-3-10/h2-6H,7-8H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1H-furo[3,4-c]pyridin-3-one?
4-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1H-furo[3,4-c]pyridin-3-one has a molecular weight of 305.79 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1H-furo[3,4-c]pyridin-3-one is sourced from PubChem (CID 715205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).