5,8-dimethylquinoline-3-carbaldehyde

C12H11NO — CID 82111610

IUPAC5,8-dimethylquinoline-3-carbaldehyde
SMILESCc1ccc(C)c2ncc(C=O)cc12
InChIInChI=1S/C12H11NO/c1-8-3-4-9(2)12-11(8)5-10(7-14)6-13-12/h3-7H,1-2H3
InChIKeyYAUSBSYBULIOEQ-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.66
Rot. Bonds1

About 5,8-dimethylquinoline-3-carbaldehyde

5,8-dimethylquinoline-3-carbaldehyde (PubChem CID 82111610) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 5,8-dimethylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name5,8-dimethylquinoline-3-carbaldehyde
PubChem CID82111610
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name5,8-dimethylquinoline-3-carbaldehyde
SMILESCc1ccc(C)c2ncc(C=O)cc12
InChIInChI=1S/C12H11NO/c1-8-3-4-9(2)12-11(8)5-10(7-14)6-13-12/h3-7H,1-2H3
InChIKeyYAUSBSYBULIOEQ-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

4,8-dimethylquinoline-6-carbaldehyde
CID 82573791
6-bromo-5-methylpyridine-3-carbaldehyde
CID 44754884
7-fluoro-8-methylquinoline-3-carbaldehyde
CID 130113789
5-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 58001739
8-bromo-6-methylquinoline-3-carbaldehyde
CID 130067119
5-hydroxy-6-methylpyridine-3-carbaldehyde
CID 15619958
2-(diethylamino)-5,8-dimethylquinoline-3-carbaldehyde
CID 26368558
2-(3-bromo-4-methylphenyl)pyrimidine-5-carbaldehyde
CID 107915521
2-(3-chloro-4-methylphenyl)pyrimidine-5-carbaldehyde
CID 24903646
5,8-dimethyl-3-thiophen-3-ylquinoline
CID 10421743
4-methylquinoline-7-carbaldehyde
CID 22464912
5,8-dimethylnaphthalene-2,3-dicarbaldehyde
CID 12579975

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethylquinoline-3-carbaldehyde?
The IUPAC name of 5,8-dimethylquinoline-3-carbaldehyde (CID 82111610) is 5,8-dimethylquinoline-3-carbaldehyde.
What is the SMILES notation for 5,8-dimethylquinoline-3-carbaldehyde?
The canonical SMILES for 5,8-dimethylquinoline-3-carbaldehyde is Cc1ccc(C)c2ncc(C=O)cc12.
What is the InChIKey of 5,8-dimethylquinoline-3-carbaldehyde?
The InChIKey is YAUSBSYBULIOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-8-3-4-9(2)12-11(8)5-10(7-14)6-13-12/h3-7H,1-2H3.
What are the key properties of 5,8-dimethylquinoline-3-carbaldehyde?
5,8-dimethylquinoline-3-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 5,8-dimethylquinoline-3-carbaldehyde is sourced from PubChem (CID 82111610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).