7-[(3,4-dimethylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol

C24H23N3O — CID 2896187

IUPAC7-[(3,4-dimethylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
SMILESCc1ccc2ccc(C(Nc3ccccn3)c3ccc(C)c(C)c3)c(O)c2n1
InChIInChI=1S/C24H23N3O/c1-15-7-9-19(14-16(15)2)22(27-21-6-4-5-13-25-21)20-12-11-18-10-8-17(3)26-23(18)24(20)28/h4-14,22,28H,1-3H3,(H,25,27)
InChIKeyHJIZPOSWCTXYAR-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.46
Rot. Bonds4

About 7-[(3,4-dimethylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol

7-[(3,4-dimethylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol (PubChem CID 2896187) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 7-[(3,4-dimethylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol.

Molecular Properties

Compound Name7-[(3,4-dimethylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
PubChem CID2896187
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name7-[(3,4-dimethylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
SMILESCc1ccc2ccc(C(Nc3ccccn3)c3ccc(C)c(C)c3)c(O)c2n1
InChIInChI=1S/C24H23N3O/c1-15-7-9-19(14-16(15)2)22(27-21-6-4-5-13-25-21)20-12-11-18-10-8-17(3)26-23(18)24(20)28/h4-14,22,28H,1-3H3,(H,25,27)
InChIKeyHJIZPOSWCTXYAR-UHFFFAOYSA-N
XLogP5.46
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(3,4-dimethylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
The IUPAC name of 7-[(3,4-dimethylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol (CID 2896187) is 7-[(3,4-dimethylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol.
What is the SMILES notation for 7-[(3,4-dimethylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
The canonical SMILES for 7-[(3,4-dimethylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol is Cc1ccc2ccc(C(Nc3ccccn3)c3ccc(C)c(C)c3)c(O)c2n1.
What is the InChIKey of 7-[(3,4-dimethylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
The InChIKey is HJIZPOSWCTXYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-15-7-9-19(14-16(15)2)22(27-21-6-4-5-13-25-21)20-12-11-18-10-8-17(3)26-23(18)24(20)28/h4-14,22,28H,1-3H3,(H,25,27).
What are the key properties of 7-[(3,4-dimethylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
7-[(3,4-dimethylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol has a molecular weight of 369.47 g/mol, XLogP of 5.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,4-dimethylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 2896187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).