4,8-dimethylquinoline-6-carbaldehyde

C12H11NO — CID 82573791

IUPAC4,8-dimethylquinoline-6-carbaldehyde
SMILESCc1ccnc2c(C)cc(C=O)cc12
InChIInChI=1S/C12H11NO/c1-8-3-4-13-12-9(2)5-10(7-14)6-11(8)12/h3-7H,1-2H3
InChIKeyYBJKZTTZTIHFRV-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.66
Rot. Bonds1

About 4,8-dimethylquinoline-6-carbaldehyde

4,8-dimethylquinoline-6-carbaldehyde (PubChem CID 82573791) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 4,8-dimethylquinoline-6-carbaldehyde.

Molecular Properties

Compound Name4,8-dimethylquinoline-6-carbaldehyde
PubChem CID82573791
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name4,8-dimethylquinoline-6-carbaldehyde
SMILESCc1ccnc2c(C)cc(C=O)cc12
InChIInChI=1S/C12H11NO/c1-8-3-4-13-12-9(2)5-10(7-14)6-11(8)12/h3-7H,1-2H3
InChIKeyYBJKZTTZTIHFRV-UHFFFAOYSA-N
XLogP2.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,8-dimethylquinoline-3-carbaldehyde
CID 82111610
4-methylquinoline-7-carbaldehyde
CID 22464912
N-(diaminomethylidene)-4,8-dimethylquinoline-6-carboxamide
CID 67961435
N-hydroxy-4,8-dimethylquinoline-6-carboxamide
CID 82574406
2,3,7-trimethylindazole-5-carbaldehyde
CID 117110362
4-methyl-1,3-benzothiazole-6-carbaldehyde
CID 166070026
4-ethoxy-3,5-dimethylbenzaldehyde
CID 18182978
3,5-dimethyl-4-trimethylsilyloxybenzaldehyde
CID 102090063
2-(4-methylquinolin-6-yl)acetaldehyde
CID 83876531
CID 157282826
CID 157282826
6,8-difluoro-4-methylquinoline;ethane
CID 142378188
6,8-dichloro-4-methylquinoline;ethane
CID 177201180

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethylquinoline-6-carbaldehyde?
The IUPAC name of 4,8-dimethylquinoline-6-carbaldehyde (CID 82573791) is 4,8-dimethylquinoline-6-carbaldehyde.
What is the SMILES notation for 4,8-dimethylquinoline-6-carbaldehyde?
The canonical SMILES for 4,8-dimethylquinoline-6-carbaldehyde is Cc1ccnc2c(C)cc(C=O)cc12.
What is the InChIKey of 4,8-dimethylquinoline-6-carbaldehyde?
The InChIKey is YBJKZTTZTIHFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-8-3-4-13-12-9(2)5-10(7-14)6-11(8)12/h3-7H,1-2H3.
What are the key properties of 4,8-dimethylquinoline-6-carbaldehyde?
4,8-dimethylquinoline-6-carbaldehyde has a molecular weight of 185.23 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethylquinoline-6-carbaldehyde is sourced from PubChem (CID 82573791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).