[(Z)-[4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino] acetate

C19H17N3O3 — CID 27035907

IUPAC[(Z)-[4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino] acetate
SMILESCC(=O)O/N=C\c1ccc(OCc2nc3ccccc3nc2C)cc1
InChIInChI=1S/C19H17N3O3/c1-13-19(22-18-6-4-3-5-17(18)21-13)12-24-16-9-7-15(8-10-16)11-20-25-14(2)23/h3-11H,12H2,1-2H3/b20-11-
InChIKeyJXIYCLOKZDETJD-JAIQZWGSSA-N
MW335.36 g/mol
LogP3.41
Rot. Bonds5

About [(Z)-[4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino] acetate

[(Z)-[4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino] acetate (PubChem CID 27035907) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is [(Z)-[4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino] acetate.

Molecular Properties

Compound Name[(Z)-[4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino] acetate
PubChem CID27035907
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name[(Z)-[4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino] acetate
SMILESCC(=O)O/N=C\c1ccc(OCc2nc3ccccc3nc2C)cc1
InChIInChI=1S/C19H17N3O3/c1-13-19(22-18-6-4-3-5-17(18)21-13)12-24-16-9-7-15(8-10-16)11-20-25-14(2)23/h3-11H,12H2,1-2H3/b20-11-
InChIKeyJXIYCLOKZDETJD-JAIQZWGSSA-N
XLogP3.41
TPSA73.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-[4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino] acetate with MolForge

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Related Compounds

4-[(3-methylquinoxalin-2-yl)methoxy]benzoic acid
CID 4601596
N-[(E)-[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino]acetamide
CID 20787648
[(E)-[4-[[4-(4-phenylsulfanylbenzoyl)phenyl]methoxy]phenyl]methylideneamino] acetate
CID 89111486
[(E)-[4-[[4-[4-(N-phenylanilino)benzoyl]phenyl]methoxy]phenyl]methylideneamino] acetate
CID 155779448
[(4-chlorophenyl)methylideneamino] acetate
CID 57215525
N-[2-[(3-methylquinoxalin-2-yl)methoxy]phenyl]acetamide
CID 51072406
(3-methylquinoxalin-2-yl)methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 46793065
N-[[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylidene]hydroxylamine
CID 74517639
N-[(E)-[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino]pyridin-1-ium-1-carboxamide chloride
CID 20787654
N-[4-[(3-chloro-4-methylquinolin-2-yl)methoxy]phenyl]acetamide
CID 9353803
[(E)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]urea
CID 127244163
[(E)-[4-(diethylamino)phenyl]methylideneamino] acetate
CID 87078724

Frequently Asked Questions

What is the IUPAC name of [(Z)-[4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino] acetate?
The IUPAC name of [(Z)-[4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino] acetate (CID 27035907) is [(Z)-[4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino] acetate.
What is the SMILES notation for [(Z)-[4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino] acetate?
The canonical SMILES for [(Z)-[4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino] acetate is CC(=O)O/N=C\c1ccc(OCc2nc3ccccc3nc2C)cc1.
What is the InChIKey of [(Z)-[4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino] acetate?
The InChIKey is JXIYCLOKZDETJD-JAIQZWGSSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-13-19(22-18-6-4-3-5-17(18)21-13)12-24-16-9-7-15(8-10-16)11-20-25-14(2)23/h3-11H,12H2,1-2H3/b20-11-.
What are the key properties of [(Z)-[4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino] acetate?
[(Z)-[4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino] acetate has a molecular weight of 335.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino] acetate is sourced from PubChem (CID 27035907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).