5-methoxyisoquinoline-6-carbaldehyde

C11H9NO2 — CID 84660978

IUPAC5-methoxyisoquinoline-6-carbaldehyde
SMILESCOc1c(C=O)ccc2cnccc12
InChIInChI=1S/C11H9NO2/c1-14-11-9(7-13)3-2-8-6-12-5-4-10(8)11/h2-7H,1H3
InChIKeyFRJALLADYAXVAI-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.06
Rot. Bonds2

About 5-methoxyisoquinoline-6-carbaldehyde

5-methoxyisoquinoline-6-carbaldehyde (PubChem CID 84660978) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 5-methoxyisoquinoline-6-carbaldehyde.

Molecular Properties

Compound Name5-methoxyisoquinoline-6-carbaldehyde
PubChem CID84660978
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name5-methoxyisoquinoline-6-carbaldehyde
SMILESCOc1c(C=O)ccc2cnccc12
InChIInChI=1S/C11H9NO2/c1-14-11-9(7-13)3-2-8-6-12-5-4-10(8)11/h2-7H,1H3
InChIKeyFRJALLADYAXVAI-UHFFFAOYSA-N
XLogP2.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,8-phenanthroline
CID 13064691
1,7-naphthyridine-4-carbaldehyde
CID 87323322
7-methoxyisoquinoline-8-carbaldehyde
CID 82573729
5-methoxy-1,3-dimethylisoquinoline-6-carbaldehyde
CID 84681062
6-(dimethylamino)isoquinoline-5-carbaldehyde
CID 165144196
6-methoxyisoquinoline-5-carboxamide
CID 82573912
8-nitroisoquinoline-5-carbaldehyde
CID 165144248
4-methoxy-1-benzothiophene-5-carbaldehyde
CID 18542549
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
methoxyethane;3-methylpyridine-4-carbaldehyde
CID 143796958
4-bromo-2-methoxybenzene-1,3-dicarbaldehyde
CID 171003528
2-(difluoromethoxy)-3-methoxyterephthalaldehyde
CID 171027843

Frequently Asked Questions

What is the IUPAC name of 5-methoxyisoquinoline-6-carbaldehyde?
The IUPAC name of 5-methoxyisoquinoline-6-carbaldehyde (CID 84660978) is 5-methoxyisoquinoline-6-carbaldehyde.
What is the SMILES notation for 5-methoxyisoquinoline-6-carbaldehyde?
The canonical SMILES for 5-methoxyisoquinoline-6-carbaldehyde is COc1c(C=O)ccc2cnccc12.
What is the InChIKey of 5-methoxyisoquinoline-6-carbaldehyde?
The InChIKey is FRJALLADYAXVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-14-11-9(7-13)3-2-8-6-12-5-4-10(8)11/h2-7H,1H3.
What are the key properties of 5-methoxyisoquinoline-6-carbaldehyde?
5-methoxyisoquinoline-6-carbaldehyde has a molecular weight of 187.20 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyisoquinoline-6-carbaldehyde is sourced from PubChem (CID 84660978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).