2,7-dimethylquinoline-6-carbaldehyde

C12H11NO — CID 166070019

IUPAC2,7-dimethylquinoline-6-carbaldehyde
SMILESCc1ccc2cc(C=O)c(C)cc2n1
InChIInChI=1S/C12H11NO/c1-8-5-12-10(6-11(8)7-14)4-3-9(2)13-12/h3-7H,1-2H3
InChIKeyOVFIXUJZSNFKKW-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.66
Rot. Bonds1

About 2,7-dimethylquinoline-6-carbaldehyde

2,7-dimethylquinoline-6-carbaldehyde (PubChem CID 166070019) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 2,7-dimethylquinoline-6-carbaldehyde.

Molecular Properties

Compound Name2,7-dimethylquinoline-6-carbaldehyde
PubChem CID166070019
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name2,7-dimethylquinoline-6-carbaldehyde
SMILESCc1ccc2cc(C=O)c(C)cc2n1
InChIInChI=1S/C12H11NO/c1-8-5-12-10(6-11(8)7-14)4-3-9(2)13-12/h3-7H,1-2H3
InChIKeyOVFIXUJZSNFKKW-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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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylquinoline-6-carbaldehyde?
The IUPAC name of 2,7-dimethylquinoline-6-carbaldehyde (CID 166070019) is 2,7-dimethylquinoline-6-carbaldehyde.
What is the SMILES notation for 2,7-dimethylquinoline-6-carbaldehyde?
The canonical SMILES for 2,7-dimethylquinoline-6-carbaldehyde is Cc1ccc2cc(C=O)c(C)cc2n1.
What is the InChIKey of 2,7-dimethylquinoline-6-carbaldehyde?
The InChIKey is OVFIXUJZSNFKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-8-5-12-10(6-11(8)7-14)4-3-9(2)13-12/h3-7H,1-2H3.
What are the key properties of 2,7-dimethylquinoline-6-carbaldehyde?
2,7-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 2,7-dimethylquinoline-6-carbaldehyde is sourced from PubChem (CID 166070019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).