2-(4-methylquinolin-6-yl)acetaldehyde

C12H11NO — CID 83876531

IUPAC2-(4-methylquinolin-6-yl)acetaldehyde
SMILESCc1ccnc2ccc(CC=O)cc12
InChIInChI=1S/C12H11NO/c1-9-4-6-13-12-3-2-10(5-7-14)8-11(9)12/h2-4,6-8H,5H2,1H3
InChIKeyOXNQZEUPPHBANZ-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.28
Rot. Bonds2

About 2-(4-methylquinolin-6-yl)acetaldehyde

2-(4-methylquinolin-6-yl)acetaldehyde (PubChem CID 83876531) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-(4-methylquinolin-6-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-methylquinolin-6-yl)acetaldehyde
PubChem CID83876531
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name2-(4-methylquinolin-6-yl)acetaldehyde
SMILESCc1ccnc2ccc(CC=O)cc12
InChIInChI=1S/C12H11NO/c1-9-4-6-13-12-3-2-10(5-7-14)8-11(9)12/h2-4,6-8H,5H2,1H3
InChIKeyOXNQZEUPPHBANZ-UHFFFAOYSA-N
XLogP2.28
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylquinolin-6-yl)acetaldehyde?
The IUPAC name of 2-(4-methylquinolin-6-yl)acetaldehyde (CID 83876531) is 2-(4-methylquinolin-6-yl)acetaldehyde.
What is the SMILES notation for 2-(4-methylquinolin-6-yl)acetaldehyde?
The canonical SMILES for 2-(4-methylquinolin-6-yl)acetaldehyde is Cc1ccnc2ccc(CC=O)cc12.
What is the InChIKey of 2-(4-methylquinolin-6-yl)acetaldehyde?
The InChIKey is OXNQZEUPPHBANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-9-4-6-13-12-3-2-10(5-7-14)8-11(9)12/h2-4,6-8H,5H2,1H3.
What are the key properties of 2-(4-methylquinolin-6-yl)acetaldehyde?
2-(4-methylquinolin-6-yl)acetaldehyde has a molecular weight of 185.23 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylquinolin-6-yl)acetaldehyde is sourced from PubChem (CID 83876531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).