N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide

C20H18N4O6 — CID 137047432

IUPACN-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
SMILESCCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc([N+](=O)[O-])c1O
InChIInChI=1S/C20H18N4O6/c1-2-29-17-10-13(9-15(20(17)26)24(27)28)11-22-23-18(25)12-30-16-7-3-5-14-6-4-8-21-19(14)16/h3-11,26H,2,12H2,1H3,(H,23,25)/b22-11+
InChIKeyTZTQZKNQAQFXEW-SSDVNMTOSA-N
MW410.39 g/mol
LogP2.78
Rot. Bonds8

About N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide

N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide (PubChem CID 137047432) has the molecular formula C20H18N4O6 and a molecular weight of 410.39 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
PubChem CID137047432
Molecular FormulaC20H18N4O6
Molecular Weight410.39 g/mol
Exact Mass410.12
IUPAC NameN-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
SMILESCCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc([N+](=O)[O-])c1O
InChIInChI=1S/C20H18N4O6/c1-2-29-17-10-13(9-15(20(17)26)24(27)28)11-22-23-18(25)12-30-16-7-3-5-14-6-4-8-21-19(14)16/h3-11,26H,2,12H2,1H3,(H,23,25)/b22-11+
InChIKeyTZTQZKNQAQFXEW-SSDVNMTOSA-N
XLogP2.78
TPSA136.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 137063536
N-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126030921
N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 135562273
N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]pentanamide
CID 136712228
N-[(E)-[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126030998
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 6898634
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 137173454
N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135830626
2-(2-tert-butylphenoxy)-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 135726553
methyl N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 135816495
N-[(E)-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 137072052
N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide
CID 136733272

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide?
The IUPAC name of N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide (CID 137047432) is N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide?
The canonical SMILES for N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide is CCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc([N+](=O)[O-])c1O.
What is the InChIKey of N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide?
The InChIKey is TZTQZKNQAQFXEW-SSDVNMTOSA-N. The full InChI is InChI=1S/C20H18N4O6/c1-2-29-17-10-13(9-15(20(17)26)24(27)28)11-22-23-18(25)12-30-16-7-3-5-14-6-4-8-21-19(14)16/h3-11,26H,2,12H2,1H3,(H,23,25)/b22-11+.
What are the key properties of N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide?
N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide has a molecular weight of 410.39 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide is sourced from PubChem (CID 137047432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).