2-(2,2-dimethyloxan-4-yl)quinoline-6-carbaldehyde

C17H19NO2 — CID 174209555

IUPAC2-(2,2-dimethyloxan-4-yl)quinoline-6-carbaldehyde
SMILESCC1(C)CC(c2ccc3cc(C=O)ccc3n2)CCO1
InChIInChI=1S/C17H19NO2/c1-17(2)10-14(7-8-20-17)16-6-4-13-9-12(11-19)3-5-15(13)18-16/h3-6,9,11,14H,7-8,10H2,1-2H3
InChIKeyDYRHDOWLKMHFKO-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.72
Rot. Bonds2

About 2-(2,2-dimethyloxan-4-yl)quinoline-6-carbaldehyde

2-(2,2-dimethyloxan-4-yl)quinoline-6-carbaldehyde (PubChem CID 174209555) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(2,2-dimethyloxan-4-yl)quinoline-6-carbaldehyde.

Molecular Properties

Compound Name2-(2,2-dimethyloxan-4-yl)quinoline-6-carbaldehyde
PubChem CID174209555
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(2,2-dimethyloxan-4-yl)quinoline-6-carbaldehyde
SMILESCC1(C)CC(c2ccc3cc(C=O)ccc3n2)CCO1
InChIInChI=1S/C17H19NO2/c1-17(2)10-14(7-8-20-17)16-6-4-13-9-12(11-19)3-5-15(13)18-16/h3-6,9,11,14H,7-8,10H2,1-2H3
InChIKeyDYRHDOWLKMHFKO-UHFFFAOYSA-N
XLogP3.72
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,2-dimethyloxan-4-yl)quinoline-6-carbaldehyde?
The IUPAC name of 2-(2,2-dimethyloxan-4-yl)quinoline-6-carbaldehyde (CID 174209555) is 2-(2,2-dimethyloxan-4-yl)quinoline-6-carbaldehyde.
What is the SMILES notation for 2-(2,2-dimethyloxan-4-yl)quinoline-6-carbaldehyde?
The canonical SMILES for 2-(2,2-dimethyloxan-4-yl)quinoline-6-carbaldehyde is CC1(C)CC(c2ccc3cc(C=O)ccc3n2)CCO1.
What is the InChIKey of 2-(2,2-dimethyloxan-4-yl)quinoline-6-carbaldehyde?
The InChIKey is DYRHDOWLKMHFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-17(2)10-14(7-8-20-17)16-6-4-13-9-12(11-19)3-5-15(13)18-16/h3-6,9,11,14H,7-8,10H2,1-2H3.
What are the key properties of 2-(2,2-dimethyloxan-4-yl)quinoline-6-carbaldehyde?
2-(2,2-dimethyloxan-4-yl)quinoline-6-carbaldehyde has a molecular weight of 269.34 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyloxan-4-yl)quinoline-6-carbaldehyde is sourced from PubChem (CID 174209555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).