7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol

C25H25N3O2 — CID 15993745

IUPAC7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
SMILESCOc1ccc(C(Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)cc1C
InChIInChI=1S/C25H25N3O2/c1-15-14-19(11-13-21(15)30-4)23(28-22-7-5-6-16(2)26-22)20-12-10-18-9-8-17(3)27-24(18)25(20)29/h5-14,23,29H,1-4H3,(H,26,28)
InChIKeyFPFOOUOUSNGKNM-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.47
Rot. Bonds5

About 7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol

7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol (PubChem CID 15993745) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol.

Molecular Properties

Compound Name7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
PubChem CID15993745
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
SMILESCOc1ccc(C(Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)cc1C
InChIInChI=1S/C25H25N3O2/c1-15-14-19(11-13-21(15)30-4)23(28-22-7-5-6-16(2)26-22)20-12-10-18-9-8-17(3)27-24(18)25(20)29/h5-14,23,29H,1-4H3,(H,26,28)
InChIKeyFPFOOUOUSNGKNM-UHFFFAOYSA-N
XLogP5.47
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
The IUPAC name of 7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol (CID 15993745) is 7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol.
What is the SMILES notation for 7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
The canonical SMILES for 7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol is COc1ccc(C(Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)cc1C.
What is the InChIKey of 7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
The InChIKey is FPFOOUOUSNGKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-15-14-19(11-13-21(15)30-4)23(28-22-7-5-6-16(2)26-22)20-12-10-18-9-8-17(3)27-24(18)25(20)29/h5-14,23,29H,1-4H3,(H,26,28).
What are the key properties of 7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol has a molecular weight of 399.49 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 15993745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).