4-[(8-hydroxy-2-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzaldehyde

C23H19N3O2 — CID 154999220

IUPAC4-[(8-hydroxy-2-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzaldehyde
SMILESCc1ccc2ccc(C(Nc3ccccn3)c3ccc(C=O)cc3)c(O)c2n1
InChIInChI=1S/C23H19N3O2/c1-15-5-8-18-11-12-19(23(28)22(18)25-15)21(26-20-4-2-3-13-24-20)17-9-6-16(14-27)7-10-17/h2-14,21,28H,1H3,(H,24,26)
InChIKeySDOLDDWQPVWXDS-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.66
Rot. Bonds5

About 4-[(8-hydroxy-2-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzaldehyde

4-[(8-hydroxy-2-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzaldehyde (PubChem CID 154999220) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[(8-hydroxy-2-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzaldehyde.

Molecular Properties

Compound Name4-[(8-hydroxy-2-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzaldehyde
PubChem CID154999220
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name4-[(8-hydroxy-2-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzaldehyde
SMILESCc1ccc2ccc(C(Nc3ccccn3)c3ccc(C=O)cc3)c(O)c2n1
InChIInChI=1S/C23H19N3O2/c1-15-5-8-18-11-12-19(23(28)22(18)25-15)21(26-20-4-2-3-13-24-20)17-9-6-16(14-27)7-10-17/h2-14,21,28H,1H3,(H,24,26)
InChIKeySDOLDDWQPVWXDS-UHFFFAOYSA-N
XLogP4.66
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-hydroxy-2-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzaldehyde?
The IUPAC name of 4-[(8-hydroxy-2-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzaldehyde (CID 154999220) is 4-[(8-hydroxy-2-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzaldehyde.
What is the SMILES notation for 4-[(8-hydroxy-2-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzaldehyde?
The canonical SMILES for 4-[(8-hydroxy-2-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzaldehyde is Cc1ccc2ccc(C(Nc3ccccn3)c3ccc(C=O)cc3)c(O)c2n1.
What is the InChIKey of 4-[(8-hydroxy-2-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzaldehyde?
The InChIKey is SDOLDDWQPVWXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-15-5-8-18-11-12-19(23(28)22(18)25-15)21(26-20-4-2-3-13-24-20)17-9-6-16(14-27)7-10-17/h2-14,21,28H,1H3,(H,24,26).
What are the key properties of 4-[(8-hydroxy-2-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzaldehyde?
4-[(8-hydroxy-2-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzaldehyde has a molecular weight of 369.42 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-hydroxy-2-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzaldehyde is sourced from PubChem (CID 154999220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).