2-(diethylamino)-5,8-dimethylquinoline-3-carbaldehyde

C16H20N2O — CID 26368558

IUPAC2-(diethylamino)-5,8-dimethylquinoline-3-carbaldehyde
SMILESCCN(CC)c1nc2c(C)ccc(C)c2cc1C=O
InChIInChI=1S/C16H20N2O/c1-5-18(6-2)16-13(10-19)9-14-11(3)7-8-12(4)15(14)17-16/h7-10H,5-6H2,1-4H3
InChIKeyAAWRBDXMXQKLPX-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.51
Rot. Bonds4

About 2-(diethylamino)-5,8-dimethylquinoline-3-carbaldehyde

2-(diethylamino)-5,8-dimethylquinoline-3-carbaldehyde (PubChem CID 26368558) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(diethylamino)-5,8-dimethylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-(diethylamino)-5,8-dimethylquinoline-3-carbaldehyde
PubChem CID26368558
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(diethylamino)-5,8-dimethylquinoline-3-carbaldehyde
SMILESCCN(CC)c1nc2c(C)ccc(C)c2cc1C=O
InChIInChI=1S/C16H20N2O/c1-5-18(6-2)16-13(10-19)9-14-11(3)7-8-12(4)15(14)17-16/h7-10H,5-6H2,1-4H3
InChIKeyAAWRBDXMXQKLPX-UHFFFAOYSA-N
XLogP3.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.51
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-(diethylamino)-5,8-dimethylquinoline-3-carbaldehyde?
The IUPAC name of 2-(diethylamino)-5,8-dimethylquinoline-3-carbaldehyde (CID 26368558) is 2-(diethylamino)-5,8-dimethylquinoline-3-carbaldehyde.
What is the SMILES notation for 2-(diethylamino)-5,8-dimethylquinoline-3-carbaldehyde?
The canonical SMILES for 2-(diethylamino)-5,8-dimethylquinoline-3-carbaldehyde is CCN(CC)c1nc2c(C)ccc(C)c2cc1C=O.
What is the InChIKey of 2-(diethylamino)-5,8-dimethylquinoline-3-carbaldehyde?
The InChIKey is AAWRBDXMXQKLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-5-18(6-2)16-13(10-19)9-14-11(3)7-8-12(4)15(14)17-16/h7-10H,5-6H2,1-4H3.
What are the key properties of 2-(diethylamino)-5,8-dimethylquinoline-3-carbaldehyde?
2-(diethylamino)-5,8-dimethylquinoline-3-carbaldehyde has a molecular weight of 256.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-5,8-dimethylquinoline-3-carbaldehyde is sourced from PubChem (CID 26368558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).