9-methyl-8-(4-methylpentoxy)-6H-isochromeno[3,4-c]pyridine

C19H23NO2 — CID 138650721

IUPAC9-methyl-8-(4-methylpentoxy)-6H-isochromeno[3,4-c]pyridine
SMILESCc1cc2c(cc1OCCCC(C)C)COc1cnccc1-2
InChIInChI=1S/C19H23NO2/c1-13(2)5-4-8-21-18-10-15-12-22-19-11-20-7-6-16(19)17(15)9-14(18)3/h6-7,9-11,13H,4-5,8,12H2,1-3H3
InChIKeyPZCWFRSHLABUQN-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.76
Rot. Bonds5

About 9-methyl-8-(4-methylpentoxy)-6H-isochromeno[3,4-c]pyridine

9-methyl-8-(4-methylpentoxy)-6H-isochromeno[3,4-c]pyridine (PubChem CID 138650721) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 9-methyl-8-(4-methylpentoxy)-6H-isochromeno[3,4-c]pyridine.

Molecular Properties

Compound Name9-methyl-8-(4-methylpentoxy)-6H-isochromeno[3,4-c]pyridine
PubChem CID138650721
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name9-methyl-8-(4-methylpentoxy)-6H-isochromeno[3,4-c]pyridine
SMILESCc1cc2c(cc1OCCCC(C)C)COc1cnccc1-2
InChIInChI=1S/C19H23NO2/c1-13(2)5-4-8-21-18-10-15-12-22-19-11-20-7-6-16(19)17(15)9-14(18)3/h6-7,9-11,13H,4-5,8,12H2,1-3H3
InChIKeyPZCWFRSHLABUQN-UHFFFAOYSA-N
XLogP4.76
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-8-(4-methylpentoxy)-6H-isochromeno[3,4-c]pyridine?
The IUPAC name of 9-methyl-8-(4-methylpentoxy)-6H-isochromeno[3,4-c]pyridine (CID 138650721) is 9-methyl-8-(4-methylpentoxy)-6H-isochromeno[3,4-c]pyridine.
What is the SMILES notation for 9-methyl-8-(4-methylpentoxy)-6H-isochromeno[3,4-c]pyridine?
The canonical SMILES for 9-methyl-8-(4-methylpentoxy)-6H-isochromeno[3,4-c]pyridine is Cc1cc2c(cc1OCCCC(C)C)COc1cnccc1-2.
What is the InChIKey of 9-methyl-8-(4-methylpentoxy)-6H-isochromeno[3,4-c]pyridine?
The InChIKey is PZCWFRSHLABUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13(2)5-4-8-21-18-10-15-12-22-19-11-20-7-6-16(19)17(15)9-14(18)3/h6-7,9-11,13H,4-5,8,12H2,1-3H3.
What are the key properties of 9-methyl-8-(4-methylpentoxy)-6H-isochromeno[3,4-c]pyridine?
9-methyl-8-(4-methylpentoxy)-6H-isochromeno[3,4-c]pyridine has a molecular weight of 297.40 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-8-(4-methylpentoxy)-6H-isochromeno[3,4-c]pyridine is sourced from PubChem (CID 138650721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).