7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol

C25H25N3O — CID 2944164

IUPAC7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
SMILESCc1ccnc(NC(c2cc(C)ccc2C)c2ccc3ccc(C)nc3c2O)c1
InChIInChI=1S/C25H25N3O/c1-15-5-6-17(3)21(13-15)24(28-22-14-16(2)11-12-26-22)20-10-9-19-8-7-18(4)27-23(19)25(20)29/h5-14,24,29H,1-4H3,(H,26,28)
InChIKeyLWRIRUDIKOTCLE-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.77
Rot. Bonds4

About 7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol

7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol (PubChem CID 2944164) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol.

Molecular Properties

Compound Name7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
PubChem CID2944164
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
SMILESCc1ccnc(NC(c2cc(C)ccc2C)c2ccc3ccc(C)nc3c2O)c1
InChIInChI=1S/C25H25N3O/c1-15-5-6-17(3)21(13-15)24(28-22-14-16(2)11-12-26-22)20-10-9-19-8-7-18(4)27-23(19)25(20)29/h5-14,24,29H,1-4H3,(H,26,28)
InChIKeyLWRIRUDIKOTCLE-UHFFFAOYSA-N
XLogP5.77
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.77
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-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
The IUPAC name of 7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol (CID 2944164) is 7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol.
What is the SMILES notation for 7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
The canonical SMILES for 7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol is Cc1ccnc(NC(c2cc(C)ccc2C)c2ccc3ccc(C)nc3c2O)c1.
What is the InChIKey of 7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
The InChIKey is LWRIRUDIKOTCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-15-5-6-17(3)21(13-15)24(28-22-14-16(2)11-12-26-22)20-10-9-19-8-7-18(4)27-23(19)25(20)29/h5-14,24,29H,1-4H3,(H,26,28).
What are the key properties of 7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol has a molecular weight of 383.50 g/mol, XLogP of 5.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 2944164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).