7-[[(4-methyl-2-pyridinyl)amino]-(4-propan-2-ylphenyl)methyl]quinolin-8-ol

C25H25N3O — CID 2896230

IUPAC7-[[(4-methyl-2-pyridinyl)amino]-(4-propan-2-ylphenyl)methyl]quinolin-8-ol
SMILESCc1ccnc(NC(c2ccc(C(C)C)cc2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C25H25N3O/c1-16(2)18-6-8-20(9-7-18)23(28-22-15-17(3)12-14-26-22)21-11-10-19-5-4-13-27-24(19)25(21)29/h4-16,23,29H,1-3H3,(H,26,28)
InChIKeyIUBFBKTYCGEBEG-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.97
Rot. Bonds5

About 7-[[(4-methyl-2-pyridinyl)amino]-(4-propan-2-ylphenyl)methyl]quinolin-8-ol

7-[[(4-methyl-2-pyridinyl)amino]-(4-propan-2-ylphenyl)methyl]quinolin-8-ol (PubChem CID 2896230) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 7-[[(4-methyl-2-pyridinyl)amino]-(4-propan-2-ylphenyl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[[(4-methyl-2-pyridinyl)amino]-(4-propan-2-ylphenyl)methyl]quinolin-8-ol
PubChem CID2896230
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name7-[[(4-methyl-2-pyridinyl)amino]-(4-propan-2-ylphenyl)methyl]quinolin-8-ol
SMILESCc1ccnc(NC(c2ccc(C(C)C)cc2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C25H25N3O/c1-16(2)18-6-8-20(9-7-18)23(28-22-15-17(3)12-14-26-22)21-11-10-19-5-4-13-27-24(19)25(21)29/h4-16,23,29H,1-3H3,(H,26,28)
InChIKeyIUBFBKTYCGEBEG-UHFFFAOYSA-N
XLogP5.97
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.97
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-[[(4-methyl-2-pyridinyl)amino]-(4-propan-2-ylphenyl)methyl]quinolin-8-ol?
The IUPAC name of 7-[[(4-methyl-2-pyridinyl)amino]-(4-propan-2-ylphenyl)methyl]quinolin-8-ol (CID 2896230) is 7-[[(4-methyl-2-pyridinyl)amino]-(4-propan-2-ylphenyl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[[(4-methyl-2-pyridinyl)amino]-(4-propan-2-ylphenyl)methyl]quinolin-8-ol?
The canonical SMILES for 7-[[(4-methyl-2-pyridinyl)amino]-(4-propan-2-ylphenyl)methyl]quinolin-8-ol is Cc1ccnc(NC(c2ccc(C(C)C)cc2)c2ccc3cccnc3c2O)c1.
What is the InChIKey of 7-[[(4-methyl-2-pyridinyl)amino]-(4-propan-2-ylphenyl)methyl]quinolin-8-ol?
The InChIKey is IUBFBKTYCGEBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-16(2)18-6-8-20(9-7-18)23(28-22-15-17(3)12-14-26-22)21-11-10-19-5-4-13-27-24(19)25(21)29/h4-16,23,29H,1-3H3,(H,26,28).
What are the key properties of 7-[[(4-methyl-2-pyridinyl)amino]-(4-propan-2-ylphenyl)methyl]quinolin-8-ol?
7-[[(4-methyl-2-pyridinyl)amino]-(4-propan-2-ylphenyl)methyl]quinolin-8-ol has a molecular weight of 383.50 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(4-methyl-2-pyridinyl)amino]-(4-propan-2-ylphenyl)methyl]quinolin-8-ol is sourced from PubChem (CID 2896230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).