7-[(4-methoxy-3-methylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol

C24H23N3O2 — CID 2923474

IUPAC7-[(4-methoxy-3-methylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
SMILESCOc1ccc(C(Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1C
InChIInChI=1S/C24H23N3O2/c1-15-14-18(10-12-20(15)29-3)22(27-21-6-4-5-13-25-21)19-11-9-17-8-7-16(2)26-23(17)24(19)28/h4-14,22,28H,1-3H3,(H,25,27)
InChIKeyJESKFHBAGSEHPY-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.16
Rot. Bonds5

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

7-[(4-methoxy-3-methylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol (PubChem CID 2923474) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 7-[(4-methoxy-3-methylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol.

Molecular Properties

Compound Name7-[(4-methoxy-3-methylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
PubChem CID2923474
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name7-[(4-methoxy-3-methylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
SMILESCOc1ccc(C(Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1C
InChIInChI=1S/C24H23N3O2/c1-15-14-18(10-12-20(15)29-3)22(27-21-6-4-5-13-25-21)19-11-9-17-8-7-16(2)26-23(17)24(19)28/h4-14,22,28H,1-3H3,(H,25,27)
InChIKeyJESKFHBAGSEHPY-UHFFFAOYSA-N
XLogP5.16
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[(4-methoxy-3-methylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol with MolForge

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Related Compounds

N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]butanamide
CID 2876872
7-{(3-Chlorophenyl)[(6-methylpyridin-2-yl)amino]methyl}quinolin-8-ol
CID 2895830
2-(Pyridin-2-ylamino)quinolin-8-ol
CID 1380879
7-[(3-Phenoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2923731
7-((2-Fluorophenyl)(4-methylpyridin-2-ylamino)methyl)quinolin-8-ol
CID 3478212
2-Methyl-7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 3651915
2-Methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 4999481
7-[(3,4-Dimethoxyphenyl)(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 2907152
7-[2-Pyridinyl(2-pyridinylamino)methyl]-8-quinolinol
CID 630034
N-[(8-hydroxy-7-quinolinyl)(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 2876839
N-[(8-hydroxy-7-quinolyl)-(4-methoxyphenyl)methyl]pentanamide
CID 3129249
7-[(3-Bromo-4,5-dimethoxyphenyl)(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 3692602

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxy-3-methylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
The IUPAC name of 7-[(4-methoxy-3-methylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol (CID 2923474) is 7-[(4-methoxy-3-methylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol.
What is the SMILES notation for 7-[(4-methoxy-3-methylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
The canonical SMILES for 7-[(4-methoxy-3-methylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol is COc1ccc(C(Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1C.
What is the InChIKey of 7-[(4-methoxy-3-methylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
The InChIKey is JESKFHBAGSEHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-15-14-18(10-12-20(15)29-3)22(27-21-6-4-5-13-25-21)19-11-9-17-8-7-16(2)26-23(17)24(19)28/h4-14,22,28H,1-3H3,(H,25,27).
What are the key properties of 7-[(4-methoxy-3-methylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
7-[(4-methoxy-3-methylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol has a molecular weight of 385.47 g/mol, XLogP of 5.16, 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)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 2923474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).