8-methyl-3-(methylamino)isochromeno[4,3-c]pyridin-6-one

C14H12N2O2 — CID 167663656

IUPAC8-methyl-3-(methylamino)isochromeno[4,3-c]pyridin-6-one
SMILESCNc1cc2oc(=O)c3cc(C)ccc3c2cn1
InChIInChI=1S/C14H12N2O2/c1-8-3-4-9-10(5-8)14(17)18-12-6-13(15-2)16-7-11(9)12/h3-7H,1-2H3,(H,15,16)
InChIKeyONFKWEMNGKCSQD-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.69
Rot. Bonds1

About 8-methyl-3-(methylamino)isochromeno[4,3-c]pyridin-6-one

8-methyl-3-(methylamino)isochromeno[4,3-c]pyridin-6-one (PubChem CID 167663656) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 8-methyl-3-(methylamino)isochromeno[4,3-c]pyridin-6-one.

Molecular Properties

Compound Name8-methyl-3-(methylamino)isochromeno[4,3-c]pyridin-6-one
PubChem CID167663656
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name8-methyl-3-(methylamino)isochromeno[4,3-c]pyridin-6-one
SMILESCNc1cc2oc(=O)c3cc(C)ccc3c2cn1
InChIInChI=1S/C14H12N2O2/c1-8-3-4-9-10(5-8)14(17)18-12-6-13(15-2)16-7-11(9)12/h3-7H,1-2H3,(H,15,16)
InChIKeyONFKWEMNGKCSQD-UHFFFAOYSA-N
XLogP2.69
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
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 8-methyl-3-(methylamino)isochromeno[4,3-c]pyridin-6-one?
The IUPAC name of 8-methyl-3-(methylamino)isochromeno[4,3-c]pyridin-6-one (CID 167663656) is 8-methyl-3-(methylamino)isochromeno[4,3-c]pyridin-6-one.
What is the SMILES notation for 8-methyl-3-(methylamino)isochromeno[4,3-c]pyridin-6-one?
The canonical SMILES for 8-methyl-3-(methylamino)isochromeno[4,3-c]pyridin-6-one is CNc1cc2oc(=O)c3cc(C)ccc3c2cn1.
What is the InChIKey of 8-methyl-3-(methylamino)isochromeno[4,3-c]pyridin-6-one?
The InChIKey is ONFKWEMNGKCSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-8-3-4-9-10(5-8)14(17)18-12-6-13(15-2)16-7-11(9)12/h3-7H,1-2H3,(H,15,16).
What are the key properties of 8-methyl-3-(methylamino)isochromeno[4,3-c]pyridin-6-one?
8-methyl-3-(methylamino)isochromeno[4,3-c]pyridin-6-one has a molecular weight of 240.26 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(methylamino)isochromeno[4,3-c]pyridin-6-one is sourced from PubChem (CID 167663656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).