7-methoxyisoquinoline-8-carbaldehyde

C11H9NO2 — CID 82573729

IUPAC7-methoxyisoquinoline-8-carbaldehyde
SMILESCOc1ccc2ccncc2c1C=O
InChIInChI=1S/C11H9NO2/c1-14-11-3-2-8-4-5-12-6-9(8)10(11)7-13/h2-7H,1H3
InChIKeyUZGLAARNMDCGGB-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.06
Rot. Bonds2

About 7-methoxyisoquinoline-8-carbaldehyde

7-methoxyisoquinoline-8-carbaldehyde (PubChem CID 82573729) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 7-methoxyisoquinoline-8-carbaldehyde.

Molecular Properties

Compound Name7-methoxyisoquinoline-8-carbaldehyde
PubChem CID82573729
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name7-methoxyisoquinoline-8-carbaldehyde
SMILESCOc1ccc2ccncc2c1C=O
InChIInChI=1S/C11H9NO2/c1-14-11-3-2-8-4-5-12-6-9(8)10(11)7-13/h2-7H,1H3
InChIKeyUZGLAARNMDCGGB-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

7-methoxy-N-methylisoquinolin-8-amine
CID 82582632
(7-methoxyisoquinolin-8-yl)methanol
CID 82576311
2,6-dimethoxynaphthalene-1-carbaldehyde
CID 12583354
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
2,9-phenanthroline
CID 23271029
3-chloro-2,6-dimethoxybenzaldehyde
CID 15414486
5-methoxy-1-methylindazole-4-carbaldehyde
CID 84662481
2,7-dimethoxy-6-methylsulfonylnaphthalene-1-carbaldehyde
CID 130391944
2-(trideuteriomethoxy)naphthalene-1-carbaldehyde
CID 163342997
5-methoxyisoquinoline-6-carbaldehyde
CID 84660978
2-methoxy-6-methylsulfinylnaphthalene-1-carbaldehyde
CID 145071221
2-bromo-3,6-dimethoxybenzaldehyde
CID 11356987

Frequently Asked Questions

What is the IUPAC name of 7-methoxyisoquinoline-8-carbaldehyde?
The IUPAC name of 7-methoxyisoquinoline-8-carbaldehyde (CID 82573729) is 7-methoxyisoquinoline-8-carbaldehyde.
What is the SMILES notation for 7-methoxyisoquinoline-8-carbaldehyde?
The canonical SMILES for 7-methoxyisoquinoline-8-carbaldehyde is COc1ccc2ccncc2c1C=O.
What is the InChIKey of 7-methoxyisoquinoline-8-carbaldehyde?
The InChIKey is UZGLAARNMDCGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-14-11-3-2-8-4-5-12-6-9(8)10(11)7-13/h2-7H,1H3.
What are the key properties of 7-methoxyisoquinoline-8-carbaldehyde?
7-methoxyisoquinoline-8-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 7-methoxyisoquinoline-8-carbaldehyde is sourced from PubChem (CID 82573729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).