N-[[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylidene]hydroxylamine

C18H17N3O3 — CID 74517639

IUPACN-[[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylidene]hydroxylamine
SMILESCOc1cc(C=NO)ccc1OCc1nc2ccccc2nc1C
InChIInChI=1S/C18H17N3O3/c1-12-16(21-15-6-4-3-5-14(15)20-12)11-24-17-8-7-13(10-19-22)9-18(17)23-2/h3-10,22H,11H2,1-2H3
InChIKeyXWFZZGNFXJSRJI-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.33
Rot. Bonds5

About N-[[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylidene]hydroxylamine

N-[[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylidene]hydroxylamine (PubChem CID 74517639) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylidene]hydroxylamine
PubChem CID74517639
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylidene]hydroxylamine
SMILESCOc1cc(C=NO)ccc1OCc1nc2ccccc2nc1C
InChIInChI=1S/C18H17N3O3/c1-12-16(21-15-6-4-3-5-14(15)20-12)11-24-17-8-7-13(10-19-22)9-18(17)23-2/h3-10,22H,11H2,1-2H3
InChIKeyXWFZZGNFXJSRJI-UHFFFAOYSA-N
XLogP3.33
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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]acetamide
CID 20787648
2-[[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylidene]propanedinitrile
CID 27035934
N-[(E)-[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylideneamino]pyridin-1-ium-1-carboxamide chloride
CID 20787654
(NZ)-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91681827
(NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 5350145
(NZ)-N-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 5408753
(NZ)-N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methylidene]hydroxylamine
CID 95732521
(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793
3-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 5209778
N-[(E)-[3-methoxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]-1-methylbenzimidazol-2-amine
CID 127244194
N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20985930
N-[[3-methoxy-4-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22680571

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylidene]hydroxylamine (CID 74517639) is N-[[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylidene]hydroxylamine is COc1cc(C=NO)ccc1OCc1nc2ccccc2nc1C.
What is the InChIKey of N-[[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is XWFZZGNFXJSRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-16(21-15-6-4-3-5-14(15)20-12)11-24-17-8-7-13(10-19-22)9-18(17)23-2/h3-10,22H,11H2,1-2H3.
What are the key properties of N-[[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylidene]hydroxylamine?
N-[[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 323.35 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-[(3-methylquinoxalin-2-yl)methoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 74517639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).