7-[(3-bromo-4,5-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

C23H20BrN3O3 — CID 3692602

IUPAC7-[(3-bromo-4,5-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESCOc1cc(C(Nc2ccccn2)c2ccc3cccnc3c2O)cc(Br)c1OC
InChIInChI=1S/C23H20BrN3O3/c1-29-18-13-15(12-17(24)23(18)30-2)20(27-19-7-3-4-10-25-19)16-9-8-14-6-5-11-26-21(14)22(16)28/h3-13,20,28H,1-2H3,(H,25,27)
InChIKeyYTSQXCDEMAKOKZ-UHFFFAOYSA-N
MW466.34 g/mol
LogP5.32
Rot. Bonds6

About 7-[(3-bromo-4,5-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

7-[(3-bromo-4,5-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 3692602) has the molecular formula C23H20BrN3O3 and a molecular weight of 466.34 g/mol. Its IUPAC name is 7-[(3-bromo-4,5-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(3-bromo-4,5-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
PubChem CID3692602
Molecular FormulaC23H20BrN3O3
Molecular Weight466.34 g/mol
Exact Mass465.07
IUPAC Name7-[(3-bromo-4,5-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESCOc1cc(C(Nc2ccccn2)c2ccc3cccnc3c2O)cc(Br)c1OC
InChIInChI=1S/C23H20BrN3O3/c1-29-18-13-15(12-17(24)23(18)30-2)20(27-19-7-3-4-10-25-19)16-9-8-14-6-5-11-26-21(14)22(16)28/h3-13,20,28H,1-2H3,(H,25,27)
InChIKeyYTSQXCDEMAKOKZ-UHFFFAOYSA-N
XLogP5.32
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.34
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[(3-bromo-4,5-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol with MolForge

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Related Compounds

7-[(3-Phenoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2923731
7-[(3,4-Dimethoxyphenyl)(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 2907152
7-[(2-Bromo-5-hydroxyphenyl)(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895072
7-[(4-Bromophenyl)(2-pyridinylamino)methyl]-8-quinolinol
CID 2895264
7-{[3-(Benzyloxy)phenyl][(4-methylpyridin-2-yl)amino]methyl}quinolin-8-ol
CID 2895488
7-[(4-Ethoxy-3-methylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 2895500
7-[(4-Methoxyphenyl)(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 2906686
7-[(3-Ethoxy-4-methoxyphenyl)-[(4-methylpyridin-2-yl)amino]methyl]quinolin-8-ol
CID 2907339
7-[(4-Bromophenyl)(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 2907552
7-((4-Methoxyphenyl)(pyridin-2-ylamino)methyl)quinolin-8-ol
CID 2908108
Cambridge id 7011428
CID 2923415
7-[(4-Methoxy-3-methylphenyl)(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 2923474

Frequently Asked Questions

What is the IUPAC name of 7-[(3-bromo-4,5-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(3-bromo-4,5-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (CID 3692602) is 7-[(3-bromo-4,5-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(3-bromo-4,5-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(3-bromo-4,5-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is COc1cc(C(Nc2ccccn2)c2ccc3cccnc3c2O)cc(Br)c1OC.
What is the InChIKey of 7-[(3-bromo-4,5-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is YTSQXCDEMAKOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O3/c1-29-18-13-15(12-17(24)23(18)30-2)20(27-19-7-3-4-10-25-19)16-9-8-14-6-5-11-26-21(14)22(16)28/h3-13,20,28H,1-2H3,(H,25,27).
What are the key properties of 7-[(3-bromo-4,5-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
7-[(3-bromo-4,5-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 466.34 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-bromo-4,5-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 3692602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).