7-[2-(5-hydroxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol

C19H15N3O3 — CID 137100646

IUPAC7-[2-(5-hydroxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol
SMILESOc1ccc2[nH]cc(C/C=N/c3cc(O)c4cccnc4c3O)c2c1
InChIInChI=1S/C19H15N3O3/c23-12-3-4-15-14(8-12)11(10-22-15)5-7-20-16-9-17(24)13-2-1-6-21-18(13)19(16)25/h1-4,6-10,22-25H,5H2/b20-7+
InChIKeyGOBNINQLLQPGOU-IFRROFPPSA-N
MW333.35 g/mol
LogP3.78
Rot. Bonds3

About 7-[2-(5-hydroxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol

7-[2-(5-hydroxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol (PubChem CID 137100646) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 7-[2-(5-hydroxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol.

Molecular Properties

Compound Name7-[2-(5-hydroxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol
PubChem CID137100646
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name7-[2-(5-hydroxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol
SMILESOc1ccc2[nH]cc(C/C=N/c3cc(O)c4cccnc4c3O)c2c1
InChIInChI=1S/C19H15N3O3/c23-12-3-4-15-14(8-12)11(10-22-15)5-7-20-16-9-17(24)13-2-1-6-21-18(13)19(16)25/h1-4,6-10,22-25H,5H2/b20-7+
InChIKeyGOBNINQLLQPGOU-IFRROFPPSA-N
XLogP3.78
TPSA101.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-prop-2-enyl-1H-indol-5-ol
CID 24746176
3-[(2-hydroxyphenoxy)methyl]-1H-indol-5-ol
CID 117175071
3-(2-iminoethyl)-1H-indol-5-ol
CID 54393064
3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
2-[2-(5-hydroxy-1H-indol-3-yl)ethyliminomethyl]benzene-1,3-diol
CID 135581382
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indol-5-ol
CID 58797909
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide
CID 5228855
3-propyl-1H-indol-5-ol
CID 15366338
3-(2-amino-2-pyridin-2-ylethyl)-1H-indol-5-ol
CID 69315737
2-fluoro-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 168786739
3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol
CID 53317992
3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 164522928

Frequently Asked Questions

What is the IUPAC name of 7-[2-(5-hydroxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol?
The IUPAC name of 7-[2-(5-hydroxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol (CID 137100646) is 7-[2-(5-hydroxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol.
What is the SMILES notation for 7-[2-(5-hydroxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol?
The canonical SMILES for 7-[2-(5-hydroxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol is Oc1ccc2[nH]cc(C/C=N/c3cc(O)c4cccnc4c3O)c2c1.
What is the InChIKey of 7-[2-(5-hydroxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol?
The InChIKey is GOBNINQLLQPGOU-IFRROFPPSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-12-3-4-15-14(8-12)11(10-22-15)5-7-20-16-9-17(24)13-2-1-6-21-18(13)19(16)25/h1-4,6-10,22-25H,5H2/b20-7+.
What are the key properties of 7-[2-(5-hydroxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol?
7-[2-(5-hydroxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol has a molecular weight of 333.35 g/mol, XLogP of 3.78, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(5-hydroxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol is sourced from PubChem (CID 137100646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).