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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Related Compounds

(2S)-4-methyl-1-[(9-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine
CID 134520684
8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-amine
CID 130389266
N-[9-chloro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide
CID 151770531
4-chloro-2-methyl-1-(4-methylpentoxy)benzene
CID 151139968
propan-2-yl N-[8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate
CID 130389284
1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-2,4-dimethylpentan-2-amine
CID 141445863
4-bromo-2-methyl-1-(4-methylpentoxy)benzene
CID 83156668
4-fluoro-2-methyl-1-(4-methylpentoxy)benzene
CID 83168738
N-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine
CID 105074964
2-[(2S)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-yl]isoindole-1,3-dione
CID 86695893
N-[10-fluoro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide
CID 144806665
1,2-dimethyl-3-(4-methylpentoxy)benzene
CID 103432295

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).