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

C20H17N3O3 — CID 137174011

IUPAC7-[2-(5-methoxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol
SMILESCOc1ccc2[nH]cc(C/C=N/c3cc(O)c4cccnc4c3O)c2c1
InChIInChI=1S/C20H17N3O3/c1-26-13-4-5-16-15(9-13)12(11-23-16)6-8-21-17-10-18(24)14-3-2-7-22-19(14)20(17)25/h2-5,7-11,23-25H,6H2,1H3/b21-8+
InChIKeyYVZVJUSWXNIKGE-ODCIPOBUSA-N
MW347.37 g/mol
LogP4.08
Rot. Bonds4

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

7-[2-(5-methoxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol (PubChem CID 137174011) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 7-[2-(5-methoxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol.

Molecular Properties

Compound Name7-[2-(5-methoxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol
PubChem CID137174011
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name7-[2-(5-methoxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol
SMILESCOc1ccc2[nH]cc(C/C=N/c3cc(O)c4cccnc4c3O)c2c1
InChIInChI=1S/C20H17N3O3/c1-26-13-4-5-16-15(9-13)12(11-23-16)6-8-21-17-10-18(24)14-3-2-7-22-19(14)20(17)25/h2-5,7-11,23-25H,6H2,1H3/b21-8+
InChIKeyYVZVJUSWXNIKGE-ODCIPOBUSA-N
XLogP4.08
TPSA90.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.08
H-Bond Donors ≤ 53
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-(1H-indol-3-yl)-6,7-dimethoxy-quinoline
CID 9972296
4-(4-Iodophenyl)-1-((4-methoxy-1H-indol-3-yl)methyl)-piperidin-4-ol oxalate
CID 46912547
(7E)-7-[(3-methoxyphenyl)hydrazinylidene]quinolin-8-one
CID 2125555
(5E)-5-[(3-methoxyphenyl)hydrazinylidene]quinolin-8-one
CID 4432459
1H-Pyrido(3,4-b)indol-6-ol, 2,3,4,9-tetrahydro-1-((5-methoxy-3-indolyl)methyl)-
CID 3045956
Pyrrolo(4,3,2-de)quinolinium, 1,3,4,5-tetrahydro-6-hydroxy-5,5-dimethyl-
CID 205042
2-(5-methoxy-1H-indol-2-yl)-1,3-di(3-pyridinyl)-2-propanol
CID 15945734
7-methoxy-1-(3-methylbut-2-enyl)-3-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyliminomethyl]-9H-carbazol-2-ol
CID 136264469
5-[(4-Propan-2-ylphenyl)methoxy]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145973264
5-[(3-Methoxyanilino)methyl]quinolin-8-ol
CID 1090311
4-(3-Isopropyl-6-methoxy-pyrrolo[3,2-c]quinolin-1-yl)-3-methyl-phenol
CID 9798310
4-(3-Ethyl-6-methoxy-pyrrolo[3,2-c]quinolin-1-yl)-3-methyl-phenol
CID 9927582

Frequently Asked Questions

What is the IUPAC name of 7-[2-(5-methoxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol?
The IUPAC name of 7-[2-(5-methoxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol (CID 137174011) is 7-[2-(5-methoxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol.
What is the SMILES notation for 7-[2-(5-methoxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol?
The canonical SMILES for 7-[2-(5-methoxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol is COc1ccc2[nH]cc(C/C=N/c3cc(O)c4cccnc4c3O)c2c1.
What is the InChIKey of 7-[2-(5-methoxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol?
The InChIKey is YVZVJUSWXNIKGE-ODCIPOBUSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-26-13-4-5-16-15(9-13)12(11-23-16)6-8-21-17-10-18(24)14-3-2-7-22-19(14)20(17)25/h2-5,7-11,23-25H,6H2,1H3/b21-8+.
What are the key properties of 7-[2-(5-methoxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol?
7-[2-(5-methoxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol has a molecular weight of 347.37 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(5-methoxy-1H-indol-3-yl)ethylideneamino]quinoline-5,8-diol is sourced from PubChem (CID 137174011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).