2,5-dimethylquinoline-3-carbaldehyde

C12H11NO — CID 163549311

IUPAC2,5-dimethylquinoline-3-carbaldehyde
SMILESCc1nc2cccc(C)c2cc1C=O
InChIInChI=1S/C12H11NO/c1-8-4-3-5-12-11(8)6-10(7-14)9(2)13-12/h3-7H,1-2H3
InChIKeyFHSAFTQOOUGLBD-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.66
Rot. Bonds1

About 2,5-dimethylquinoline-3-carbaldehyde

2,5-dimethylquinoline-3-carbaldehyde (PubChem CID 163549311) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 2,5-dimethylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name2,5-dimethylquinoline-3-carbaldehyde
PubChem CID163549311
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name2,5-dimethylquinoline-3-carbaldehyde
SMILESCc1nc2cccc(C)c2cc1C=O
InChIInChI=1S/C12H11NO/c1-8-4-3-5-12-11(8)6-10(7-14)9(2)13-12/h3-7H,1-2H3
InChIKeyFHSAFTQOOUGLBD-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-dimethylnaphthalene-2,3-dicarbaldehyde
CID 12579975
1-methylacridine;hydrochloride
CID 175333750
1,5-dimethylisoquinoline-3-carbaldehyde
CID 83528029
ethane;3-ethenyl-5-methyl-2-prop-1-en-2-ylquinoline
CID 143617144
4-methylquinoline-2-carbaldehyde
CID 12735795
5-methyl-2-(5-methylquinolin-2-yl)quinoline
CID 100918758
4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde
CID 43364688
1-methylacridine;nitric acid
CID 173117700
3-methylquinoxaline-2-carbaldehyde
CID 588800
3,4,8-trimethylazulene-1-carbaldehyde
CID 23256998
5,8-dimethoxy-2-methylquinoline-3-carbaldehyde
CID 15672393
2,7-dimethylimidazo[2,1-a]isoquinoline-3-carbaldehyde
CID 115034432

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylquinoline-3-carbaldehyde?
The IUPAC name of 2,5-dimethylquinoline-3-carbaldehyde (CID 163549311) is 2,5-dimethylquinoline-3-carbaldehyde.
What is the SMILES notation for 2,5-dimethylquinoline-3-carbaldehyde?
The canonical SMILES for 2,5-dimethylquinoline-3-carbaldehyde is Cc1nc2cccc(C)c2cc1C=O.
What is the InChIKey of 2,5-dimethylquinoline-3-carbaldehyde?
The InChIKey is FHSAFTQOOUGLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-8-4-3-5-12-11(8)6-10(7-14)9(2)13-12/h3-7H,1-2H3.
What are the key properties of 2,5-dimethylquinoline-3-carbaldehyde?
2,5-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 2,5-dimethylquinoline-3-carbaldehyde is sourced from PubChem (CID 163549311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).