N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide

C20H19N3O3 — CID 126028828

IUPACN-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
SMILESCOc1ccc(/C=N/NC(=O)COc2cccc3cccnc23)c(C)c1
InChIInChI=1S/C20H19N3O3/c1-14-11-17(25-2)9-8-16(14)12-22-23-19(24)13-26-18-7-3-5-15-6-4-10-21-20(15)18/h3-12H,13H2,1-2H3,(H,23,24)/b22-12+
InChIKeyKSSFHJOCDYVEHA-WSDLNYQXSA-N
MW349.39 g/mol
LogP3.08
Rot. Bonds6

About N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide

N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide (PubChem CID 126028828) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
PubChem CID126028828
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
SMILESCOc1ccc(/C=N/NC(=O)COc2cccc3cccnc23)c(C)c1
InChIInChI=1S/C20H19N3O3/c1-14-11-17(25-2)9-8-16(14)12-22-23-19(24)13-26-18-7-3-5-15-6-4-10-21-20(15)18/h3-12H,13H2,1-2H3,(H,23,24)/b22-12+
InChIKeyKSSFHJOCDYVEHA-WSDLNYQXSA-N
XLogP3.08
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126023468
2-(2-methoxyphenoxy)-N-[(Z)-quinolin-8-ylmethylideneamino]acetamide
CID 5413897
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 136817914
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 135627845
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 137063536
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 6898634
N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 50855494
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 831096
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 5426190
N-(2-methoxyphenyl)-2-[4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide
CID 126025869
N-[(E)-[2-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126024146
N-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126022963

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide?
The IUPAC name of N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide (CID 126028828) is N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide.
What is the SMILES notation for N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide?
The canonical SMILES for N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide is COc1ccc(/C=N/NC(=O)COc2cccc3cccnc23)c(C)c1.
What is the InChIKey of N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide?
The InChIKey is KSSFHJOCDYVEHA-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14-11-17(25-2)9-8-16(14)12-22-23-19(24)13-26-18-7-3-5-15-6-4-10-21-20(15)18/h3-12H,13H2,1-2H3,(H,23,24)/b22-12+.
What are the key properties of N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide?
N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide has a molecular weight of 349.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide is sourced from PubChem (CID 126028828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).