4-[anilino-(8-hydroxyquinolin-7-yl)methyl]-N-hydroxybenzeneamine oxide

C22H19N3O3 — CID 21139459

IUPAC4-[anilino-(8-hydroxyquinolin-7-yl)methyl]-N-hydroxybenzeneamine oxide
SMILES[O-][NH+](O)c1ccc(C(Nc2ccccc2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C22H19N3O3/c26-22-19(13-10-15-5-4-14-23-21(15)22)20(24-17-6-2-1-3-7-17)16-8-11-18(12-9-16)25(27)28/h1-14,20,24-27H
InChIKeyRFELHPFMAUPEML-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.55
Rot. Bonds5

About 4-[anilino-(8-hydroxyquinolin-7-yl)methyl]-N-hydroxybenzeneamine oxide

4-[anilino-(8-hydroxyquinolin-7-yl)methyl]-N-hydroxybenzeneamine oxide (PubChem CID 21139459) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-[anilino-(8-hydroxyquinolin-7-yl)methyl]-N-hydroxybenzeneamine oxide.

Molecular Properties

Compound Name4-[anilino-(8-hydroxyquinolin-7-yl)methyl]-N-hydroxybenzeneamine oxide
PubChem CID21139459
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name4-[anilino-(8-hydroxyquinolin-7-yl)methyl]-N-hydroxybenzeneamine oxide
SMILES[O-][NH+](O)c1ccc(C(Nc2ccccc2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C22H19N3O3/c26-22-19(13-10-15-5-4-14-23-21(15)22)20(24-17-6-2-1-3-7-17)16-8-11-18(12-9-16)25(27)28/h1-14,20,24-27H
InChIKeyRFELHPFMAUPEML-UHFFFAOYSA-N
XLogP3.55
TPSA92.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[anilino-(8-hydroxyquinolin-7-yl)methyl]benzoate
CID 23851621
7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232843
4-[[(4-bromophenyl)-(8-hydroxyquinolin-7-yl)methyl]amino]benzoic acid
CID 127041093
7-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 3056881
cadmium;bis(7-[(3-nitroanilino)-phenylmethyl]quinolin-8-ol)
CID 10509772
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-[(4-ethoxyanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232821
7-[(4-ethoxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol
CID 16644263
7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 19232910
7-[(S)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 1222215
7-[(R)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
CID 6980884

Frequently Asked Questions

What is the IUPAC name of 4-[anilino-(8-hydroxyquinolin-7-yl)methyl]-N-hydroxybenzeneamine oxide?
The IUPAC name of 4-[anilino-(8-hydroxyquinolin-7-yl)methyl]-N-hydroxybenzeneamine oxide (CID 21139459) is 4-[anilino-(8-hydroxyquinolin-7-yl)methyl]-N-hydroxybenzeneamine oxide.
What is the SMILES notation for 4-[anilino-(8-hydroxyquinolin-7-yl)methyl]-N-hydroxybenzeneamine oxide?
The canonical SMILES for 4-[anilino-(8-hydroxyquinolin-7-yl)methyl]-N-hydroxybenzeneamine oxide is [O-][NH+](O)c1ccc(C(Nc2ccccc2)c2ccc3cccnc3c2O)cc1.
What is the InChIKey of 4-[anilino-(8-hydroxyquinolin-7-yl)methyl]-N-hydroxybenzeneamine oxide?
The InChIKey is RFELHPFMAUPEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c26-22-19(13-10-15-5-4-14-23-21(15)22)20(24-17-6-2-1-3-7-17)16-8-11-18(12-9-16)25(27)28/h1-14,20,24-27H.
What are the key properties of 4-[anilino-(8-hydroxyquinolin-7-yl)methyl]-N-hydroxybenzeneamine oxide?
4-[anilino-(8-hydroxyquinolin-7-yl)methyl]-N-hydroxybenzeneamine oxide has a molecular weight of 373.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[anilino-(8-hydroxyquinolin-7-yl)methyl]-N-hydroxybenzeneamine oxide is sourced from PubChem (CID 21139459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).