7-[2-(2-methoxyphenyl)ethylideneamino]quinoline-5,8-diol

C18H16N2O3 — CID 137147798

IUPAC7-[2-(2-methoxyphenyl)ethylideneamino]quinoline-5,8-diol
SMILESCOc1ccccc1C/C=N/c1cc(O)c2cccnc2c1O
InChIInChI=1S/C18H16N2O3/c1-23-16-7-3-2-5-12(16)8-10-19-14-11-15(21)13-6-4-9-20-17(13)18(14)22/h2-7,9-11,21-22H,8H2,1H3/b19-10+
InChIKeyMTJZXASOPWXLNC-VXLYETTFSA-N
MW308.34 g/mol
LogP3.60
Rot. Bonds4

About 7-[2-(2-methoxyphenyl)ethylideneamino]quinoline-5,8-diol

7-[2-(2-methoxyphenyl)ethylideneamino]quinoline-5,8-diol (PubChem CID 137147798) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 7-[2-(2-methoxyphenyl)ethylideneamino]quinoline-5,8-diol.

Molecular Properties

Compound Name7-[2-(2-methoxyphenyl)ethylideneamino]quinoline-5,8-diol
PubChem CID137147798
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name7-[2-(2-methoxyphenyl)ethylideneamino]quinoline-5,8-diol
SMILESCOc1ccccc1C/C=N/c1cc(O)c2cccnc2c1O
InChIInChI=1S/C18H16N2O3/c1-23-16-7-3-2-5-12(16)8-10-19-14-11-15(21)13-6-4-9-20-17(13)18(14)22/h2-7,9-11,21-22H,8H2,1H3/b19-10+
InChIKeyMTJZXASOPWXLNC-VXLYETTFSA-N
XLogP3.60
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.60
H-Bond Donors ≤ 52
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

4-(7-Methoxyquinolin-4-yl)-2-methylphenol
CID 135567383
5-(4-Methylphenylazo)-8-hydroxyquinoline
CID 208719
8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
5-[[4-(2-Methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 2303849
5-(4-Methoxyphenylazo)-8-hydroxyquinoline
CID 3794954
5,8-Dimethoxyquinoline
CID 268973
(7E)-7-[(3-methoxyphenyl)hydrazinylidene]quinolin-8-one
CID 2125555
(5E)-5-[(3-methoxyphenyl)hydrazinylidene]quinolin-8-one
CID 4432459
2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinolin-8-ol
CID 5731541
7-(((2-Methoxyphenyl)amino)(phenyl)methyl)quinolin-8-ol
CID 256751
7-[(4-Methoxyphenyl)morpholin-4-ylmethyl]quinolin-8-ol
CID 3937063
7-{[(2-Methoxyphenyl)amino](pyridin-3-yl)methyl}quinolin-8-ol
CID 4128964

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-methoxyphenyl)ethylideneamino]quinoline-5,8-diol?
The IUPAC name of 7-[2-(2-methoxyphenyl)ethylideneamino]quinoline-5,8-diol (CID 137147798) is 7-[2-(2-methoxyphenyl)ethylideneamino]quinoline-5,8-diol.
What is the SMILES notation for 7-[2-(2-methoxyphenyl)ethylideneamino]quinoline-5,8-diol?
The canonical SMILES for 7-[2-(2-methoxyphenyl)ethylideneamino]quinoline-5,8-diol is COc1ccccc1C/C=N/c1cc(O)c2cccnc2c1O.
What is the InChIKey of 7-[2-(2-methoxyphenyl)ethylideneamino]quinoline-5,8-diol?
The InChIKey is MTJZXASOPWXLNC-VXLYETTFSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-23-16-7-3-2-5-12(16)8-10-19-14-11-15(21)13-6-4-9-20-17(13)18(14)22/h2-7,9-11,21-22H,8H2,1H3/b19-10+.
What are the key properties of 7-[2-(2-methoxyphenyl)ethylideneamino]quinoline-5,8-diol?
7-[2-(2-methoxyphenyl)ethylideneamino]quinoline-5,8-diol has a molecular weight of 308.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-methoxyphenyl)ethylideneamino]quinoline-5,8-diol is sourced from PubChem (CID 137147798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).