2-[1-methoxypropan-2-yl(methyl)amino]quinoline-3-carbaldehyde

C15H18N2O2 — CID 61451313

IUPAC2-[1-methoxypropan-2-yl(methyl)amino]quinoline-3-carbaldehyde
SMILESCOCC(C)N(C)c1nc2ccccc2cc1C=O
InChIInChI=1S/C15H18N2O2/c1-11(10-19-3)17(2)15-13(9-18)8-12-6-4-5-7-14(12)16-15/h4-9,11H,10H2,1-3H3
InChIKeySAEIWRNKYNHHQR-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.52
Rot. Bonds5

About 2-[1-methoxypropan-2-yl(methyl)amino]quinoline-3-carbaldehyde

2-[1-methoxypropan-2-yl(methyl)amino]quinoline-3-carbaldehyde (PubChem CID 61451313) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[1-methoxypropan-2-yl(methyl)amino]quinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-[1-methoxypropan-2-yl(methyl)amino]quinoline-3-carbaldehyde
PubChem CID61451313
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[1-methoxypropan-2-yl(methyl)amino]quinoline-3-carbaldehyde
SMILESCOCC(C)N(C)c1nc2ccccc2cc1C=O
InChIInChI=1S/C15H18N2O2/c1-11(10-19-3)17(2)15-13(9-18)8-12-6-4-5-7-14(12)16-15/h4-9,11H,10H2,1-3H3
InChIKeySAEIWRNKYNHHQR-UHFFFAOYSA-N
XLogP2.52
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-[1-methoxypropan-2-yl(methyl)amino]quinoline-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-methoxypropan-2-yl(methyl)amino]quinoline-3-carbaldehyde?
The IUPAC name of 2-[1-methoxypropan-2-yl(methyl)amino]quinoline-3-carbaldehyde (CID 61451313) is 2-[1-methoxypropan-2-yl(methyl)amino]quinoline-3-carbaldehyde.
What is the SMILES notation for 2-[1-methoxypropan-2-yl(methyl)amino]quinoline-3-carbaldehyde?
The canonical SMILES for 2-[1-methoxypropan-2-yl(methyl)amino]quinoline-3-carbaldehyde is COCC(C)N(C)c1nc2ccccc2cc1C=O.
What is the InChIKey of 2-[1-methoxypropan-2-yl(methyl)amino]quinoline-3-carbaldehyde?
The InChIKey is SAEIWRNKYNHHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(10-19-3)17(2)15-13(9-18)8-12-6-4-5-7-14(12)16-15/h4-9,11H,10H2,1-3H3.
What are the key properties of 2-[1-methoxypropan-2-yl(methyl)amino]quinoline-3-carbaldehyde?
2-[1-methoxypropan-2-yl(methyl)amino]quinoline-3-carbaldehyde has a molecular weight of 258.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methoxypropan-2-yl(methyl)amino]quinoline-3-carbaldehyde is sourced from PubChem (CID 61451313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).