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

C21H17N3O2 — CID 4130526

IUPAC7-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
SMILESOc1ccccc1NC(c1cccnc1)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
InChIKeyXUQHRWDMEIFJHR-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.24
Rot. Bonds4

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

7-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol (PubChem CID 4130526) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 7-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
PubChem CID4130526
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name7-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
SMILESOc1ccccc1NC(c1cccnc1)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
InChIKeyXUQHRWDMEIFJHR-UHFFFAOYSA-N
XLogP4.24
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(2-hydroxyanilino)-pyridin-1-ium-3-ylmethyl]quinolin-8-ol
CID 4130528
7-[(R)-pyridin-3-yl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol
CID 1285693
7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 703326
7-[[2-chloro-5-(trifluoromethyl)anilino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 19232932
7-[[(3,5-dichloro-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 56729926
7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 19233207
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-[pyridin-4-yl-(2,4,5-trichloroanilino)methyl]quinolin-8-ol
CID 19233022
2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-8-ol;2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol;7-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-8-ol;7-[[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol;7-[pyridin-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol;7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 157167249
7-[(S)-pyridin-3-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol
CID 675468
7-[pyridin-1-ium-3-yl-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
CID 4196680

Frequently Asked Questions

What is the IUPAC name of 7-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol (CID 4130526) is 7-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol is Oc1ccccc1NC(c1cccnc1)c1ccc2cccnc2c1O.
What is the InChIKey of 7-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol?
The InChIKey is XUQHRWDMEIFJHR-UHFFFAOYSA-N. 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.
What are the key properties of 7-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol?
7-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol has a molecular weight of 343.39 g/mol, XLogP of 4.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 4130526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).