2,7,8-trimethylquinoline-4-carbaldehyde

C13H13NO — CID 82448404

IUPAC2,7,8-trimethylquinoline-4-carbaldehyde
SMILESCc1cc(C=O)c2ccc(C)c(C)c2n1
InChIInChI=1S/C13H13NO/c1-8-4-5-12-11(7-15)6-9(2)14-13(12)10(8)3/h4-7H,1-3H3
InChIKeyOFYBAQNMKGDZGD-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.97
Rot. Bonds1

About 2,7,8-trimethylquinoline-4-carbaldehyde

2,7,8-trimethylquinoline-4-carbaldehyde (PubChem CID 82448404) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2,7,8-trimethylquinoline-4-carbaldehyde.

Molecular Properties

Compound Name2,7,8-trimethylquinoline-4-carbaldehyde
PubChem CID82448404
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2,7,8-trimethylquinoline-4-carbaldehyde
SMILESCc1cc(C=O)c2ccc(C)c(C)c2n1
InChIInChI=1S/C13H13NO/c1-8-4-5-12-11(7-15)6-9(2)14-13(12)10(8)3/h4-7H,1-3H3
InChIKeyOFYBAQNMKGDZGD-UHFFFAOYSA-N
XLogP2.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.97
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

7,8-dichloro-2-methylquinoline-4-carbaldehyde
CID 82449304
2,7,8-trimethylquinoline-4-carboxamide
CID 82574045
5-chloro-2,8-dimethylquinoline-4-carbaldehyde
CID 82573852
2-chloro-7,8-dimethylquinoline-3-carbaldehyde
CID 788652
2,7,8-trimethyl-N-(4-methylphenyl)quinolin-4-amine
CID 743492
2-(2,7,8-trimethylquinolin-4-yl)acetonitrile
CID 82448419
3-methoxy-2,6-dimethylpyridine-4-carbaldehyde
CID 84652102
4,7,8-trimethylquinoline-2-carboxylic acid
CID 82574760
7-chloro-2,4,8-trimethylquinoline;ethane
CID 170974379
5,8-dimethylnaphthalene-2,3-dicarbaldehyde
CID 12579975
2,4,8-trimethyl-7-nitroquinoline
CID 71342477
2,4-dichloro-7,8-dimethylquinoline
CID 82581103

Frequently Asked Questions

What is the IUPAC name of 2,7,8-trimethylquinoline-4-carbaldehyde?
The IUPAC name of 2,7,8-trimethylquinoline-4-carbaldehyde (CID 82448404) is 2,7,8-trimethylquinoline-4-carbaldehyde.
What is the SMILES notation for 2,7,8-trimethylquinoline-4-carbaldehyde?
The canonical SMILES for 2,7,8-trimethylquinoline-4-carbaldehyde is Cc1cc(C=O)c2ccc(C)c(C)c2n1.
What is the InChIKey of 2,7,8-trimethylquinoline-4-carbaldehyde?
The InChIKey is OFYBAQNMKGDZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-8-4-5-12-11(7-15)6-9(2)14-13(12)10(8)3/h4-7H,1-3H3.
What are the key properties of 2,7,8-trimethylquinoline-4-carbaldehyde?
2,7,8-trimethylquinoline-4-carbaldehyde has a molecular weight of 199.25 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,8-trimethylquinoline-4-carbaldehyde is sourced from PubChem (CID 82448404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).