7-[(4-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

C22H19N3O — CID 2895171

IUPAC7-[(4-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESCc1ccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C22H19N3O/c1-15-7-9-17(10-8-15)20(25-19-6-2-3-13-23-19)18-12-11-16-5-4-14-24-21(16)22(18)26/h2-14,20,26H,1H3,(H,23,25)
InChIKeyMDKMHIKWIGNKOJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.85
Rot. Bonds4

About 7-[(4-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

7-[(4-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 2895171) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 7-[(4-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
PubChem CID2895171
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name7-[(4-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESCc1ccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C22H19N3O/c1-15-7-9-17(10-8-15)20(25-19-6-2-3-13-23-19)18-12-11-16-5-4-14-24-21(16)22(18)26/h2-14,20,26H,1H3,(H,23,25)
InChIKeyMDKMHIKWIGNKOJ-UHFFFAOYSA-N
XLogP4.85
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.85
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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Related Compounds

Mls002637543
CID 219563
N-[(8-hydroxyquinolin-7-yl)(phenyl)methyl]pentanamide
CID 3129244
Mls1547
CID 1093278
N-[(8-Hydroxy-quinolin-7-yl)-p-tolyl-methyl]-butyramide
CID 3129243
7-(Piperidin-1-ylmethyl)quinolin-8-ol
CID 245742
N-((8-hydroxyquinolin-7-yl)(4-isopropylphenyl)methyl)acetamide
CID 2921404
N-[(8-Hydroxy-quinolin-7-yl)-(4-isopropyl-phenyl)-methyl]-butyramide
CID 3136125
7-{(3-Chlorophenyl)[(6-methylpyridin-2-yl)amino]methyl}quinolin-8-ol
CID 2895830
N-[(4-dimethylaminophenyl)-(8-hydroxy-7-quinolyl)methyl]pentanamide
CID 3129247
N-[(8-Hydroxy-quinolin-7-yl)-p-tolyl-methyl]-propionamide
CID 2876744
7-(Anilino(phenyl)methyl)-2-methyl-8-quinolinol
CID 248986
2-(Pyridin-2-ylamino)quinolin-8-ol
CID 1380879

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(4-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (CID 2895171) is 7-[(4-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is Cc1ccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)cc1.
What is the InChIKey of 7-[(4-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is MDKMHIKWIGNKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-15-7-9-17(10-8-15)20(25-19-6-2-3-13-23-19)18-12-11-16-5-4-14-24-21(16)22(18)26/h2-14,20,26H,1H3,(H,23,25).
What are the key properties of 7-[(4-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
7-[(4-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 341.41 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 2895171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).