3-methoxy-8-methylisochromeno[4,3-b]pyridin-6-one

C14H11NO3 — CID 167663655

IUPAC3-methoxy-8-methylisochromeno[4,3-b]pyridin-6-one
SMILESCOc1cnc2c(c1)oc(=O)c1cc(C)ccc12
InChIInChI=1S/C14H11NO3/c1-8-3-4-10-11(5-8)14(16)18-12-6-9(17-2)7-15-13(10)12/h3-7H,1-2H3
InChIKeyMHRQOQOPJMLOKF-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.66
Rot. Bonds1

About 3-methoxy-8-methylisochromeno[4,3-b]pyridin-6-one

3-methoxy-8-methylisochromeno[4,3-b]pyridin-6-one (PubChem CID 167663655) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-methoxy-8-methylisochromeno[4,3-b]pyridin-6-one.

Molecular Properties

Compound Name3-methoxy-8-methylisochromeno[4,3-b]pyridin-6-one
PubChem CID167663655
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name3-methoxy-8-methylisochromeno[4,3-b]pyridin-6-one
SMILESCOc1cnc2c(c1)oc(=O)c1cc(C)ccc12
InChIInChI=1S/C14H11NO3/c1-8-3-4-10-11(5-8)14(16)18-12-6-9(17-2)7-15-13(10)12/h3-7H,1-2H3
InChIKeyMHRQOQOPJMLOKF-UHFFFAOYSA-N
XLogP2.66
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-methoxy-8-methylisochromeno[4,3-b]pyridin-6-one?
The IUPAC name of 3-methoxy-8-methylisochromeno[4,3-b]pyridin-6-one (CID 167663655) is 3-methoxy-8-methylisochromeno[4,3-b]pyridin-6-one.
What is the SMILES notation for 3-methoxy-8-methylisochromeno[4,3-b]pyridin-6-one?
The canonical SMILES for 3-methoxy-8-methylisochromeno[4,3-b]pyridin-6-one is COc1cnc2c(c1)oc(=O)c1cc(C)ccc12.
What is the InChIKey of 3-methoxy-8-methylisochromeno[4,3-b]pyridin-6-one?
The InChIKey is MHRQOQOPJMLOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-8-3-4-10-11(5-8)14(16)18-12-6-9(17-2)7-15-13(10)12/h3-7H,1-2H3.
What are the key properties of 3-methoxy-8-methylisochromeno[4,3-b]pyridin-6-one?
3-methoxy-8-methylisochromeno[4,3-b]pyridin-6-one has a molecular weight of 241.25 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-8-methylisochromeno[4,3-b]pyridin-6-one is sourced from PubChem (CID 167663655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).