2-[(5-methylquinolin-8-yl)methylamino]benzaldehyde

C18H16N2O — CID 132539685

IUPAC2-[(5-methylquinolin-8-yl)methylamino]benzaldehyde
SMILESCc1ccc(CNc2ccccc2C=O)c2ncccc12
InChIInChI=1S/C18H16N2O/c1-13-8-9-14(18-16(13)6-4-10-19-18)11-20-17-7-3-2-5-15(17)12-21/h2-10,12,20H,11H2,1H3
InChIKeyGMFOCWHIOOTYFN-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.97
Rot. Bonds4

About 2-[(5-methylquinolin-8-yl)methylamino]benzaldehyde

2-[(5-methylquinolin-8-yl)methylamino]benzaldehyde (PubChem CID 132539685) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(5-methylquinolin-8-yl)methylamino]benzaldehyde.

Molecular Properties

Compound Name2-[(5-methylquinolin-8-yl)methylamino]benzaldehyde
PubChem CID132539685
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-[(5-methylquinolin-8-yl)methylamino]benzaldehyde
SMILESCc1ccc(CNc2ccccc2C=O)c2ncccc12
InChIInChI=1S/C18H16N2O/c1-13-8-9-14(18-16(13)6-4-10-19-18)11-20-17-7-3-2-5-15(17)12-21/h2-10,12,20H,11H2,1H3
InChIKeyGMFOCWHIOOTYFN-UHFFFAOYSA-N
XLogP3.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
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-[(5-methylquinolin-8-yl)methylamino]benzaldehyde?
The IUPAC name of 2-[(5-methylquinolin-8-yl)methylamino]benzaldehyde (CID 132539685) is 2-[(5-methylquinolin-8-yl)methylamino]benzaldehyde.
What is the SMILES notation for 2-[(5-methylquinolin-8-yl)methylamino]benzaldehyde?
The canonical SMILES for 2-[(5-methylquinolin-8-yl)methylamino]benzaldehyde is Cc1ccc(CNc2ccccc2C=O)c2ncccc12.
What is the InChIKey of 2-[(5-methylquinolin-8-yl)methylamino]benzaldehyde?
The InChIKey is GMFOCWHIOOTYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13-8-9-14(18-16(13)6-4-10-19-18)11-20-17-7-3-2-5-15(17)12-21/h2-10,12,20H,11H2,1H3.
What are the key properties of 2-[(5-methylquinolin-8-yl)methylamino]benzaldehyde?
2-[(5-methylquinolin-8-yl)methylamino]benzaldehyde has a molecular weight of 276.34 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylquinolin-8-yl)methylamino]benzaldehyde is sourced from PubChem (CID 132539685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).