5-methoxyisoquinoline-3-carbaldehyde

C11H9NO2 — CID 91262659

IUPAC5-methoxyisoquinoline-3-carbaldehyde
SMILESCOc1cccc2cnc(C=O)cc12
InChIInChI=1S/C11H9NO2/c1-14-11-4-2-3-8-6-12-9(7-13)5-10(8)11/h2-7H,1H3
InChIKeyUIHBXDAKURMQIZ-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.06
Rot. Bonds2

About 5-methoxyisoquinoline-3-carbaldehyde

5-methoxyisoquinoline-3-carbaldehyde (PubChem CID 91262659) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 5-methoxyisoquinoline-3-carbaldehyde.

Molecular Properties

Compound Name5-methoxyisoquinoline-3-carbaldehyde
PubChem CID91262659
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name5-methoxyisoquinoline-3-carbaldehyde
SMILESCOc1cccc2cnc(C=O)cc12
InChIInChI=1S/C11H9NO2/c1-14-11-4-2-3-8-6-12-9(7-13)5-10(8)11/h2-7H,1H3
InChIKeyUIHBXDAKURMQIZ-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

4,8-dimethoxyquinoline-2-carbaldehyde
CID 23125776
4,5-dimethoxypyridine-2-carbaldehyde;propane
CID 143811555
ethyl 5-methoxyisoquinoline-3-carboxylate
CID 131699571
3-chloro-8-methoxyisoquinoline
CID 14589577
methyl 8-methoxyisoquinoline-3-carboxylate
CID 66940406
3-chloro-8-methoxyisoquinoline-4-carbaldehyde
CID 131699932
4-methoxyquinoline-8-carbaldehyde
CID 171397329
3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde
CID 22685612
7-iodo-1,6-dimethoxynaphthalene
CID 14004783
5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078
4-methoxy-8-propan-2-ylquinoline-2-carbaldehyde
CID 22493610
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589

Frequently Asked Questions

What is the IUPAC name of 5-methoxyisoquinoline-3-carbaldehyde?
The IUPAC name of 5-methoxyisoquinoline-3-carbaldehyde (CID 91262659) is 5-methoxyisoquinoline-3-carbaldehyde.
What is the SMILES notation for 5-methoxyisoquinoline-3-carbaldehyde?
The canonical SMILES for 5-methoxyisoquinoline-3-carbaldehyde is COc1cccc2cnc(C=O)cc12.
What is the InChIKey of 5-methoxyisoquinoline-3-carbaldehyde?
The InChIKey is UIHBXDAKURMQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-14-11-4-2-3-8-6-12-9(7-13)5-10(8)11/h2-7H,1H3.
What are the key properties of 5-methoxyisoquinoline-3-carbaldehyde?
5-methoxyisoquinoline-3-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-3-carbaldehyde is sourced from PubChem (CID 91262659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).