7-[(2-hydroxyanilino)-pyridin-1-ium-3-ylmethyl]quinolin-8-ol

C21H18N3O2+ — CID 4130528

IUPAC7-[(2-hydroxyanilino)-pyridin-1-ium-3-ylmethyl]quinolin-8-ol
SMILESOc1ccccc1NC(c1ccc[nH+]c1)c1ccc2cccnc2c1O
InChIInChI=1S/C21H17N3O2/c25-18-8-2-1-7-17(18)24-19(15-6-3-11-22-13-15)16-10-9-14-5-4-12-23-20(14)21(16)26/h1-13,19,24-26H/p+1
InChIKeyXUQHRWDMEIFJHR-UHFFFAOYSA-O
MW344.39 g/mol
LogP3.66
Rot. Bonds4

About 7-[(2-hydroxyanilino)-pyridin-1-ium-3-ylmethyl]quinolin-8-ol

7-[(2-hydroxyanilino)-pyridin-1-ium-3-ylmethyl]quinolin-8-ol (PubChem CID 4130528) has the molecular formula C21H18N3O2+ and a molecular weight of 344.39 g/mol. Its IUPAC name is 7-[(2-hydroxyanilino)-pyridin-1-ium-3-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(2-hydroxyanilino)-pyridin-1-ium-3-ylmethyl]quinolin-8-ol
PubChem CID4130528
Molecular FormulaC21H18N3O2+
Molecular Weight344.39 g/mol
Exact Mass344.14
IUPAC Name7-[(2-hydroxyanilino)-pyridin-1-ium-3-ylmethyl]quinolin-8-ol
SMILESOc1ccccc1NC(c1ccc[nH+]c1)c1ccc2cccnc2c1O
InChIInChI=1S/C21H17N3O2/c25-18-8-2-1-7-17(18)24-19(15-6-3-11-22-13-15)16-10-9-14-5-4-12-23-20(14)21(16)26/h1-13,19,24-26H/p+1
InChIKeyXUQHRWDMEIFJHR-UHFFFAOYSA-O
XLogP3.66
TPSA79.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[pyridin-1-ium-3-yl-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
CID 4196680
7-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 4130526
methyl 2-[[(R)-(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate
CID 6962939
7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 19232910
7-[(R)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
CID 6980884
7-[pyridin-4-yl-(2,4,5-trichloroanilino)methyl]quinolin-8-ol
CID 19233022
7-[[(6-methylpyridin-1-ium-2-yl)amino]-pyridin-1-ium-4-ylmethyl]quinolin-8-ol
CID 3642270
7-[(R)-[(3-hydroxypyridin-1-ium-2-yl)amino]-(4-nitrophenyl)methyl]quinolin-8-ol
CID 7808519
7-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895950
7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895250
7-[(S)-(4-ethylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
CID 7106312
7-[(S)-(2-ethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 7453622

Frequently Asked Questions

What is the IUPAC name of 7-[(2-hydroxyanilino)-pyridin-1-ium-3-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[(2-hydroxyanilino)-pyridin-1-ium-3-ylmethyl]quinolin-8-ol (CID 4130528) is 7-[(2-hydroxyanilino)-pyridin-1-ium-3-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[(2-hydroxyanilino)-pyridin-1-ium-3-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[(2-hydroxyanilino)-pyridin-1-ium-3-ylmethyl]quinolin-8-ol is Oc1ccccc1NC(c1ccc[nH+]c1)c1ccc2cccnc2c1O.
What is the InChIKey of 7-[(2-hydroxyanilino)-pyridin-1-ium-3-ylmethyl]quinolin-8-ol?
The InChIKey is XUQHRWDMEIFJHR-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H17N3O2/c25-18-8-2-1-7-17(18)24-19(15-6-3-11-22-13-15)16-10-9-14-5-4-12-23-20(14)21(16)26/h1-13,19,24-26H/p+1.
What are the key properties of 7-[(2-hydroxyanilino)-pyridin-1-ium-3-ylmethyl]quinolin-8-ol?
7-[(2-hydroxyanilino)-pyridin-1-ium-3-ylmethyl]quinolin-8-ol has a molecular weight of 344.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-hydroxyanilino)-pyridin-1-ium-3-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 4130528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).