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

C22H19N3O2 — CID 2908108

IUPAC7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESCOc1ccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C22H19N3O2/c1-27-17-10-7-16(8-11-17)20(25-19-6-2-3-13-23-19)18-12-9-15-5-4-14-24-21(15)22(18)26/h2-14,20,26H,1H3,(H,23,25)
InChIKeyQDQKNQUWCAUUJR-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.55
Rot. Bonds5

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

7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 2908108) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
PubChem CID2908108
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESCOc1ccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C22H19N3O2/c1-27-17-10-7-16(8-11-17)20(25-19-6-2-3-13-23-19)18-12-9-15-5-4-14-24-21(15)22(18)26/h2-14,20,26H,1H3,(H,23,25)
InChIKeyQDQKNQUWCAUUJR-UHFFFAOYSA-N
XLogP4.55
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.55
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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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
N-[(3,4-dimethoxyphenyl)-(8-hydroxy-7-quinolyl)methyl]pentanamide
CID 3129250
N-[(8-Hydroxy-quinolin-7-yl)-(2-methoxy-phenyl)-methyl]-propionamide
CID 2876575
2-(Pyridin-2-ylamino)quinolin-8-ol
CID 1380879
N-[(8-hydroxy-7-quinolyl)-(2-methoxyphenyl)methyl]butanamide
CID 2876596
7-[(3-Phenoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2923731
N-[(3,4-dimethoxyphenyl)-(8-hydroxy-7-quinolyl)methyl]-3-methyl-butanamide
CID 2930224
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

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (CID 2908108) is 7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is COc1ccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is QDQKNQUWCAUUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-27-17-10-7-16(8-11-17)20(25-19-6-2-3-13-23-19)18-12-9-15-5-4-14-24-21(15)22(18)26/h2-14,20,26H,1H3,(H,23,25).
What are the key properties of 7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 357.41 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 2908108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).