4-[[2-(dimethylamino)quinolin-4-yl]methyl]benzaldehyde

C19H18N2O — CID 22282606

IUPAC4-[[2-(dimethylamino)quinolin-4-yl]methyl]benzaldehyde
SMILESCN(C)c1cc(Cc2ccc(C=O)cc2)c2ccccc2n1
InChIInChI=1S/C19H18N2O/c1-21(2)19-12-16(17-5-3-4-6-18(17)20-19)11-14-7-9-15(13-22)10-8-14/h3-10,12-13H,11H2,1-2H3
InChIKeyQQOFXFIRIYMZJQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.70
Rot. Bonds4

About 4-[[2-(dimethylamino)quinolin-4-yl]methyl]benzaldehyde

4-[[2-(dimethylamino)quinolin-4-yl]methyl]benzaldehyde (PubChem CID 22282606) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)quinolin-4-yl]methyl]benzaldehyde.

Molecular Properties

Compound Name4-[[2-(dimethylamino)quinolin-4-yl]methyl]benzaldehyde
PubChem CID22282606
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name4-[[2-(dimethylamino)quinolin-4-yl]methyl]benzaldehyde
SMILESCN(C)c1cc(Cc2ccc(C=O)cc2)c2ccccc2n1
InChIInChI=1S/C19H18N2O/c1-21(2)19-12-16(17-5-3-4-6-18(17)20-19)11-14-7-9-15(13-22)10-8-14/h3-10,12-13H,11H2,1-2H3
InChIKeyQQOFXFIRIYMZJQ-UHFFFAOYSA-N
XLogP3.70
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N,N-dimethylquinolin-2-amine
CID 56828443
2-N,2-N,4-N-trimethylquinoline-2,4-diamine
CID 14338127
3-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl-methylamino]propanoic acid
CID 122004546
4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine
CID 133327888
4-[(cyclopropylamino)methyl]-N,N-dimethylquinolin-2-amine
CID 62279811
2-amino-4-[2-(dimethylamino)quinolin-4-yl]butan-1-ol
CID 144525418
(E)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide
CID 75533968
2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-2-phenylacetamide
CID 71990803
2-(dimethylamino)-N-ethylquinoline-4-carboxamide
CID 53016631
[[2-(dimethylamino)quinolin-4-yl]amino]methylidene-dimethylazanium
CID 6344295
2-[(4-ethylquinolin-2-yl)-methylamino]acetic acid
CID 175474960
4-[[4-(methylaminomethyl)phenyl]methyl]quinolin-2-amine
CID 138645350

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)quinolin-4-yl]methyl]benzaldehyde?
The IUPAC name of 4-[[2-(dimethylamino)quinolin-4-yl]methyl]benzaldehyde (CID 22282606) is 4-[[2-(dimethylamino)quinolin-4-yl]methyl]benzaldehyde.
What is the SMILES notation for 4-[[2-(dimethylamino)quinolin-4-yl]methyl]benzaldehyde?
The canonical SMILES for 4-[[2-(dimethylamino)quinolin-4-yl]methyl]benzaldehyde is CN(C)c1cc(Cc2ccc(C=O)cc2)c2ccccc2n1.
What is the InChIKey of 4-[[2-(dimethylamino)quinolin-4-yl]methyl]benzaldehyde?
The InChIKey is QQOFXFIRIYMZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-21(2)19-12-16(17-5-3-4-6-18(17)20-19)11-14-7-9-15(13-22)10-8-14/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 4-[[2-(dimethylamino)quinolin-4-yl]methyl]benzaldehyde?
4-[[2-(dimethylamino)quinolin-4-yl]methyl]benzaldehyde has a molecular weight of 290.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)quinolin-4-yl]methyl]benzaldehyde is sourced from PubChem (CID 22282606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).