N-[(E)-[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino]acetamide

C20H20N4O3 — CID 20787648

IUPACN-[(E)-[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(C)=O)ccc1OCc1nc2ccccc2nc1C
InChIInChI=1S/C20H20N4O3/c1-13-18(23-17-7-5-4-6-16(17)22-13)12-27-19-9-8-15(10-20(19)26-3)11-21-24-14(2)25/h4-11H,12H2,1-3H3,(H,24,25)/b21-11+
InChIKeyWOMXAWSNXUAWPU-SRZZPIQSSA-N
MW364.41 g/mol
LogP3.00
Rot. Bonds6

About N-[(E)-[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino]acetamide

N-[(E)-[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino]acetamide (PubChem CID 20787648) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[(E)-[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino]acetamide
PubChem CID20787648
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[(E)-[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(C)=O)ccc1OCc1nc2ccccc2nc1C
InChIInChI=1S/C20H20N4O3/c1-13-18(23-17-7-5-4-6-16(17)22-13)12-27-19-9-8-15(10-20(19)26-3)11-21-24-14(2)25/h4-11H,12H2,1-3H3,(H,24,25)/b21-11+
InChIKeyWOMXAWSNXUAWPU-SRZZPIQSSA-N
XLogP3.00
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.00
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-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino]pyridin-1-ium-1-carboxamide chloride
CID 20787654
N-[[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylidene]hydroxylamine
CID 74517639
2-[[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylidene]propanedinitrile
CID 27035934
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide
CID 6117131
N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide
CID 25237262
2-hydroxy-N-[(E)-[3-methoxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]benzamide
CID 127244203
N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]acetamide
CID 9074141
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 127033876
N-[[3-ethoxy-4-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide
CID 3612099
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 5430728
4-acetamido-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 3918813
ethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate
CID 6902439

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino]acetamide?
The IUPAC name of N-[(E)-[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino]acetamide (CID 20787648) is N-[(E)-[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino]acetamide.
What is the SMILES notation for N-[(E)-[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino]acetamide?
The canonical SMILES for N-[(E)-[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino]acetamide is COc1cc(/C=N/NC(C)=O)ccc1OCc1nc2ccccc2nc1C.
What is the InChIKey of N-[(E)-[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino]acetamide?
The InChIKey is WOMXAWSNXUAWPU-SRZZPIQSSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-18(23-17-7-5-4-6-16(17)22-13)12-27-19-9-8-15(10-20(19)26-3)11-21-24-14(2)25/h4-11H,12H2,1-3H3,(H,24,25)/b21-11+.
What are the key properties of N-[(E)-[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino]acetamide?
N-[(E)-[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino]acetamide has a molecular weight of 364.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 20787648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).