4-[[6-(dimethylamino)quinolin-4-yl]amino]benzaldehyde

C18H17N3O — CID 157043577

IUPAC4-[[6-(dimethylamino)quinolin-4-yl]amino]benzaldehyde
SMILESCN(C)c1ccc2nccc(Nc3ccc(C=O)cc3)c2c1
InChIInChI=1S/C18H17N3O/c1-21(2)15-7-8-17-16(11-15)18(9-10-19-17)20-14-5-3-13(12-22)4-6-14/h3-12H,1-2H3,(H,19,20)
InChIKeyRTXFQPAQGLKFHX-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.86
Rot. Bonds4

About 4-[[6-(dimethylamino)quinolin-4-yl]amino]benzaldehyde

4-[[6-(dimethylamino)quinolin-4-yl]amino]benzaldehyde (PubChem CID 157043577) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[[6-(dimethylamino)quinolin-4-yl]amino]benzaldehyde.

Molecular Properties

Compound Name4-[[6-(dimethylamino)quinolin-4-yl]amino]benzaldehyde
PubChem CID157043577
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name4-[[6-(dimethylamino)quinolin-4-yl]amino]benzaldehyde
SMILESCN(C)c1ccc2nccc(Nc3ccc(C=O)cc3)c2c1
InChIInChI=1S/C18H17N3O/c1-21(2)15-7-8-17-16(11-15)18(9-10-19-17)20-14-5-3-13(12-22)4-6-14/h3-12H,1-2H3,(H,19,20)
InChIKeyRTXFQPAQGLKFHX-UHFFFAOYSA-N
XLogP3.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(dimethylamino)quinolin-4-yl]amino]benzaldehyde?
The IUPAC name of 4-[[6-(dimethylamino)quinolin-4-yl]amino]benzaldehyde (CID 157043577) is 4-[[6-(dimethylamino)quinolin-4-yl]amino]benzaldehyde.
What is the SMILES notation for 4-[[6-(dimethylamino)quinolin-4-yl]amino]benzaldehyde?
The canonical SMILES for 4-[[6-(dimethylamino)quinolin-4-yl]amino]benzaldehyde is CN(C)c1ccc2nccc(Nc3ccc(C=O)cc3)c2c1.
What is the InChIKey of 4-[[6-(dimethylamino)quinolin-4-yl]amino]benzaldehyde?
The InChIKey is RTXFQPAQGLKFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-21(2)15-7-8-17-16(11-15)18(9-10-19-17)20-14-5-3-13(12-22)4-6-14/h3-12H,1-2H3,(H,19,20).
What are the key properties of 4-[[6-(dimethylamino)quinolin-4-yl]amino]benzaldehyde?
4-[[6-(dimethylamino)quinolin-4-yl]amino]benzaldehyde has a molecular weight of 291.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(dimethylamino)quinolin-4-yl]amino]benzaldehyde is sourced from PubChem (CID 157043577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).