4-methoxyquinoline-8-carbaldehyde

C11H9NO2 — CID 171397329

IUPAC4-methoxyquinoline-8-carbaldehyde
SMILESCOc1ccnc2c(C=O)cccc12
InChIInChI=1S/C11H9NO2/c1-14-10-5-6-12-11-8(7-13)3-2-4-9(10)11/h2-7H,1H3
InChIKeyOBIRZTXXNJHXBS-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.06
Rot. Bonds2

About 4-methoxyquinoline-8-carbaldehyde

4-methoxyquinoline-8-carbaldehyde (PubChem CID 171397329) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 4-methoxyquinoline-8-carbaldehyde.

Molecular Properties

Compound Name4-methoxyquinoline-8-carbaldehyde
PubChem CID171397329
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name4-methoxyquinoline-8-carbaldehyde
SMILESCOc1ccnc2c(C=O)cccc12
InChIInChI=1S/C11H9NO2/c1-14-10-5-6-12-11-8(7-13)3-2-4-9(10)11/h2-7H,1H3
InChIKeyOBIRZTXXNJHXBS-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

8-hydroxysulfanyl-4-methoxyquinoline
CID 176668017
3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699930
3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde
CID 60893026
7-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
CID 46856450
(4-methoxyquinolin-8-yl)carbamic acid
CID 155211747
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
N-(5-methoxyquinolin-8-yl)formamide
CID 886460
(2-formyl-6-methoxyphenoxy)-oxido-oxophosphanium
CID 162540271
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
3-(8-methoxyquinolin-4-yl)propanal
CID 10846345
2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
carbanide;ethane;2-methoxybenzaldehyde;yttrium
CID 160914428

Frequently Asked Questions

What is the IUPAC name of 4-methoxyquinoline-8-carbaldehyde?
The IUPAC name of 4-methoxyquinoline-8-carbaldehyde (CID 171397329) is 4-methoxyquinoline-8-carbaldehyde.
What is the SMILES notation for 4-methoxyquinoline-8-carbaldehyde?
The canonical SMILES for 4-methoxyquinoline-8-carbaldehyde is COc1ccnc2c(C=O)cccc12.
What is the InChIKey of 4-methoxyquinoline-8-carbaldehyde?
The InChIKey is OBIRZTXXNJHXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-14-10-5-6-12-11-8(7-13)3-2-4-9(10)11/h2-7H,1H3.
What are the key properties of 4-methoxyquinoline-8-carbaldehyde?
4-methoxyquinoline-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 4-methoxyquinoline-8-carbaldehyde is sourced from PubChem (CID 171397329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).