7-[(2-bromo-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

C21H16BrN3O2 — CID 2895072

IUPAC7-[(2-bromo-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1ccc(Br)c(C(Nc2ccccn2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C21H16BrN3O2/c22-17-9-7-14(26)12-16(17)20(25-18-5-1-2-10-23-18)15-8-6-13-4-3-11-24-19(13)21(15)27/h1-12,20,26-27H,(H,23,25)
InChIKeyRBAFPHOWXLPNFT-UHFFFAOYSA-N
MW422.28 g/mol
LogP5.01
Rot. Bonds4

About 7-[(2-bromo-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

7-[(2-bromo-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 2895072) has the molecular formula C21H16BrN3O2 and a molecular weight of 422.28 g/mol. Its IUPAC name is 7-[(2-bromo-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(2-bromo-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
PubChem CID2895072
Molecular FormulaC21H16BrN3O2
Molecular Weight422.28 g/mol
Exact Mass421.04
IUPAC Name7-[(2-bromo-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1ccc(Br)c(C(Nc2ccccn2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C21H16BrN3O2/c22-17-9-7-14(26)12-16(17)20(25-18-5-1-2-10-23-18)15-8-6-13-4-3-11-24-19(13)21(15)27/h1-12,20,26-27H,(H,23,25)
InChIKeyRBAFPHOWXLPNFT-UHFFFAOYSA-N
XLogP5.01
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.28
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[(2-bromo-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol with MolForge

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Related Compounds

5-Bromo-7-(1-piperidinylmethyl)-8-quinolinol
CID 678099
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
7-[(3-Bromo-4,5-dimethoxyphenyl)(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 3692602
8-Quinolinol, 7-(alpha-(3-methyl-2-pyridylamino)benzyl)-
CID 3056877
2-Methyl-7-[(2-methylphenyl)[(6-methylpyridin-2-YL)amino]methyl]quinolin-8-OL
CID 2940834

Frequently Asked Questions

What is the IUPAC name of 7-[(2-bromo-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(2-bromo-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (CID 2895072) is 7-[(2-bromo-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(2-bromo-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(2-bromo-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is Oc1ccc(Br)c(C(Nc2ccccn2)c2ccc3cccnc3c2O)c1.
What is the InChIKey of 7-[(2-bromo-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is RBAFPHOWXLPNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN3O2/c22-17-9-7-14(26)12-16(17)20(25-18-5-1-2-10-23-18)15-8-6-13-4-3-11-24-19(13)21(15)27/h1-12,20,26-27H,(H,23,25).
What are the key properties of 7-[(2-bromo-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
7-[(2-bromo-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 422.28 g/mol, XLogP of 5.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-bromo-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 2895072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).