N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide

C20H19N3O4 — CID 6898634

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
SMILESCOc1ccc(/C=N/NC(=O)COc2cccc3cccnc23)cc1OC
InChIInChI=1S/C20H19N3O4/c1-25-16-9-8-14(11-18(16)26-2)12-22-23-19(24)13-27-17-7-3-5-15-6-4-10-21-20(15)17/h3-12H,13H2,1-2H3,(H,23,24)/b22-12+
InChIKeyVBKWVQQKOMKNPY-WSDLNYQXSA-N
MW365.39 g/mol
LogP2.78
Rot. Bonds7

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide (PubChem CID 6898634) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
PubChem CID6898634
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
SMILESCOc1ccc(/C=N/NC(=O)COc2cccc3cccnc23)cc1OC
InChIInChI=1S/C20H19N3O4/c1-25-16-9-8-14(11-18(16)26-2)12-22-23-19(24)13-27-17-7-3-5-15-6-4-10-21-20(15)17/h3-12H,13H2,1-2H3,(H,23,24)/b22-12+
InChIKeyVBKWVQQKOMKNPY-WSDLNYQXSA-N
XLogP2.78
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126022963
(2R)-2-[2-methoxy-4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 41271108
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 137063536
2-[2-iodo-4-[(E)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126023421
N-(2-methoxyphenyl)-2-[4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide
CID 126025869
N-[(E)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126029696
2-(2-methoxyphenoxy)-N-[(Z)-quinolin-8-ylmethylideneamino]acetamide
CID 5413897
N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126023468
ethyl 2-[2-bromo-6-methoxy-4-[(E)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetate
CID 126029459
N-[(E)-[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126030998
N-[(E)-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126025405
N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126028828

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide (CID 6898634) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide is COc1ccc(/C=N/NC(=O)COc2cccc3cccnc23)cc1OC.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide?
The InChIKey is VBKWVQQKOMKNPY-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-25-16-9-8-14(11-18(16)26-2)12-22-23-19(24)13-27-17-7-3-5-15-6-4-10-21-20(15)17/h3-12H,13H2,1-2H3,(H,23,24)/b22-12+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide has a molecular weight of 365.39 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide is sourced from PubChem (CID 6898634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).