4,7-dimethyl-6-phenyl-1H-furo[3,4-c]pyridin-3-one

C15H13NO2 — CID 135067385

IUPAC4,7-dimethyl-6-phenyl-1H-furo[3,4-c]pyridin-3-one
SMILESCc1nc(-c2ccccc2)c(C)c2c1C(=O)OC2
InChIInChI=1S/C15H13NO2/c1-9-12-8-18-15(17)13(12)10(2)16-14(9)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyQNBZDLOSAXRJTP-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.04
Rot. Bonds1

About 4,7-dimethyl-6-phenyl-1H-furo[3,4-c]pyridin-3-one

4,7-dimethyl-6-phenyl-1H-furo[3,4-c]pyridin-3-one (PubChem CID 135067385) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4,7-dimethyl-6-phenyl-1H-furo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name4,7-dimethyl-6-phenyl-1H-furo[3,4-c]pyridin-3-one
PubChem CID135067385
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name4,7-dimethyl-6-phenyl-1H-furo[3,4-c]pyridin-3-one
SMILESCc1nc(-c2ccccc2)c(C)c2c1C(=O)OC2
InChIInChI=1S/C15H13NO2/c1-9-12-8-18-15(17)13(12)10(2)16-14(9)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyQNBZDLOSAXRJTP-UHFFFAOYSA-N
XLogP3.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-6-phenyl-1H-furo[3,4-c]pyridin-3-one?
The IUPAC name of 4,7-dimethyl-6-phenyl-1H-furo[3,4-c]pyridin-3-one (CID 135067385) is 4,7-dimethyl-6-phenyl-1H-furo[3,4-c]pyridin-3-one.
What is the SMILES notation for 4,7-dimethyl-6-phenyl-1H-furo[3,4-c]pyridin-3-one?
The canonical SMILES for 4,7-dimethyl-6-phenyl-1H-furo[3,4-c]pyridin-3-one is Cc1nc(-c2ccccc2)c(C)c2c1C(=O)OC2.
What is the InChIKey of 4,7-dimethyl-6-phenyl-1H-furo[3,4-c]pyridin-3-one?
The InChIKey is QNBZDLOSAXRJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-9-12-8-18-15(17)13(12)10(2)16-14(9)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3.
What are the key properties of 4,7-dimethyl-6-phenyl-1H-furo[3,4-c]pyridin-3-one?
4,7-dimethyl-6-phenyl-1H-furo[3,4-c]pyridin-3-one has a molecular weight of 239.27 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-6-phenyl-1H-furo[3,4-c]pyridin-3-one is sourced from PubChem (CID 135067385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).