3-(8-methoxyquinolin-4-yl)propanal

C13H13NO2 — CID 10846345

IUPAC3-(8-methoxyquinolin-4-yl)propanal
SMILESCOc1cccc2c(CCC=O)ccnc12
InChIInChI=1S/C13H13NO2/c1-16-12-6-2-5-11-10(4-3-9-15)7-8-14-13(11)12/h2,5-9H,3-4H2,1H3
InChIKeyCBMBDVHVTJIRSL-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.37
Rot. Bonds4

About 3-(8-methoxyquinolin-4-yl)propanal

3-(8-methoxyquinolin-4-yl)propanal (PubChem CID 10846345) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(8-methoxyquinolin-4-yl)propanal.

Molecular Properties

Compound Name3-(8-methoxyquinolin-4-yl)propanal
PubChem CID10846345
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3-(8-methoxyquinolin-4-yl)propanal
SMILESCOc1cccc2c(CCC=O)ccnc12
InChIInChI=1S/C13H13NO2/c1-16-12-6-2-5-11-10(4-3-9-15)7-8-14-13(11)12/h2,5-9H,3-4H2,1H3
InChIKeyCBMBDVHVTJIRSL-UHFFFAOYSA-N
XLogP2.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.37
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

(8-methoxyquinolin-4-yl)methanol
CID 86714571
4-(8-methoxyquinolin-4-yl)butan-1-amine
CID 10609508
4-[2-(8-methoxyquinolin-4-yl)ethyl]cyclohexan-1-one
CID 68747183
4-[3-(4-heptylpiperazin-1-yl)propyl]-8-methoxyquinoline
CID 67551289
3-(6-methoxyquinolin-4-yl)propanal
CID 10751165
3-(8-methoxy-4-oxo-3H-quinazolin-2-yl)propanal
CID 177042597
4-methoxyquinoline-8-carbaldehyde
CID 171397329
1-(8-methoxyquinolin-5-yl)-N-methylmethanamine
CID 16640560
N-[(8-methoxyquinolin-5-yl)methyl]hydroxylamine
CID 117292523
3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanal
CID 175266949
N-[2-[2-(2,3-dimethoxyphenyl)ethylamino]ethyl]formamide
CID 163403698
3-(3,4-dimethoxy-2-methylphenyl)propanal
CID 117297630

Frequently Asked Questions

What is the IUPAC name of 3-(8-methoxyquinolin-4-yl)propanal?
The IUPAC name of 3-(8-methoxyquinolin-4-yl)propanal (CID 10846345) is 3-(8-methoxyquinolin-4-yl)propanal.
What is the SMILES notation for 3-(8-methoxyquinolin-4-yl)propanal?
The canonical SMILES for 3-(8-methoxyquinolin-4-yl)propanal is COc1cccc2c(CCC=O)ccnc12.
What is the InChIKey of 3-(8-methoxyquinolin-4-yl)propanal?
The InChIKey is CBMBDVHVTJIRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-16-12-6-2-5-11-10(4-3-9-15)7-8-14-13(11)12/h2,5-9H,3-4H2,1H3.
What are the key properties of 3-(8-methoxyquinolin-4-yl)propanal?
3-(8-methoxyquinolin-4-yl)propanal has a molecular weight of 215.25 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methoxyquinolin-4-yl)propanal is sourced from PubChem (CID 10846345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).