8-methoxyquinoline-4-carbaldehyde

C11H9NO2 — CID 19776664

IUPAC8-methoxyquinoline-4-carbaldehyde
SMILESCOc1cccc2c(C=O)ccnc12
InChIInChI=1S/C11H9NO2/c1-14-10-4-2-3-9-8(7-13)5-6-12-11(9)10/h2-7H,1H3
InChIKeyBGPDVGSICZEUHR-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.06
Rot. Bonds2

About 8-methoxyquinoline-4-carbaldehyde

8-methoxyquinoline-4-carbaldehyde (PubChem CID 19776664) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 8-methoxyquinoline-4-carbaldehyde.

Molecular Properties

Compound Name8-methoxyquinoline-4-carbaldehyde
PubChem CID19776664
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name8-methoxyquinoline-4-carbaldehyde
SMILESCOc1cccc2c(C=O)ccnc12
InChIInChI=1S/C11H9NO2/c1-14-10-4-2-3-9-8(7-13)5-6-12-11(9)10/h2-7H,1H3
InChIKeyBGPDVGSICZEUHR-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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Frequently Asked Questions

What is the IUPAC name of 8-methoxyquinoline-4-carbaldehyde?
The IUPAC name of 8-methoxyquinoline-4-carbaldehyde (CID 19776664) is 8-methoxyquinoline-4-carbaldehyde.
What is the SMILES notation for 8-methoxyquinoline-4-carbaldehyde?
The canonical SMILES for 8-methoxyquinoline-4-carbaldehyde is COc1cccc2c(C=O)ccnc12.
What is the InChIKey of 8-methoxyquinoline-4-carbaldehyde?
The InChIKey is BGPDVGSICZEUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-14-10-4-2-3-9-8(7-13)5-6-12-11(9)10/h2-7H,1H3.
What are the key properties of 8-methoxyquinoline-4-carbaldehyde?
8-methoxyquinoline-4-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 8-methoxyquinoline-4-carbaldehyde is sourced from PubChem (CID 19776664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).