3-[[(E)-(2-methoxyphenyl)methylideneamino]-prop-2-enylamino]-1-prop-2-enylquinoxalin-2-one

C22H22N4O2 — CID 51032667

IUPAC3-[[(E)-(2-methoxyphenyl)methylideneamino]-prop-2-enylamino]-1-prop-2-enylquinoxalin-2-one
SMILESC=CCN(/N=C/c1ccccc1OC)c1nc2ccccc2n(CC=C)c1=O
InChIInChI=1S/C22H22N4O2/c1-4-14-25-19-12-8-7-11-18(19)24-21(22(25)27)26(15-5-2)23-16-17-10-6-9-13-20(17)28-3/h4-13,16H,1-2,14-15H2,3H3/b23-16+
InChIKeyGXUSZBCNMCSNFP-XQNSMLJCSA-N
MW374.44 g/mol
LogP3.62
Rot. Bonds8

About 3-[[(E)-(2-methoxyphenyl)methylideneamino]-prop-2-enylamino]-1-prop-2-enylquinoxalin-2-one

3-[[(E)-(2-methoxyphenyl)methylideneamino]-prop-2-enylamino]-1-prop-2-enylquinoxalin-2-one (PubChem CID 51032667) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[[(E)-(2-methoxyphenyl)methylideneamino]-prop-2-enylamino]-1-prop-2-enylquinoxalin-2-one.

Molecular Properties

Compound Name3-[[(E)-(2-methoxyphenyl)methylideneamino]-prop-2-enylamino]-1-prop-2-enylquinoxalin-2-one
PubChem CID51032667
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-[[(E)-(2-methoxyphenyl)methylideneamino]-prop-2-enylamino]-1-prop-2-enylquinoxalin-2-one
SMILESC=CCN(/N=C/c1ccccc1OC)c1nc2ccccc2n(CC=C)c1=O
InChIInChI=1S/C22H22N4O2/c1-4-14-25-19-12-8-7-11-18(19)24-21(22(25)27)26(15-5-2)23-16-17-10-6-9-13-20(17)28-3/h4-13,16H,1-2,14-15H2,3H3/b23-16+
InChIKeyGXUSZBCNMCSNFP-XQNSMLJCSA-N
XLogP3.62
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-(2-methoxyphenyl)methylideneamino]-prop-2-enylamino]-1-prop-2-enylquinoxalin-2-one?
The IUPAC name of 3-[[(E)-(2-methoxyphenyl)methylideneamino]-prop-2-enylamino]-1-prop-2-enylquinoxalin-2-one (CID 51032667) is 3-[[(E)-(2-methoxyphenyl)methylideneamino]-prop-2-enylamino]-1-prop-2-enylquinoxalin-2-one.
What is the SMILES notation for 3-[[(E)-(2-methoxyphenyl)methylideneamino]-prop-2-enylamino]-1-prop-2-enylquinoxalin-2-one?
The canonical SMILES for 3-[[(E)-(2-methoxyphenyl)methylideneamino]-prop-2-enylamino]-1-prop-2-enylquinoxalin-2-one is C=CCN(/N=C/c1ccccc1OC)c1nc2ccccc2n(CC=C)c1=O.
What is the InChIKey of 3-[[(E)-(2-methoxyphenyl)methylideneamino]-prop-2-enylamino]-1-prop-2-enylquinoxalin-2-one?
The InChIKey is GXUSZBCNMCSNFP-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-4-14-25-19-12-8-7-11-18(19)24-21(22(25)27)26(15-5-2)23-16-17-10-6-9-13-20(17)28-3/h4-13,16H,1-2,14-15H2,3H3/b23-16+.
What are the key properties of 3-[[(E)-(2-methoxyphenyl)methylideneamino]-prop-2-enylamino]-1-prop-2-enylquinoxalin-2-one?
3-[[(E)-(2-methoxyphenyl)methylideneamino]-prop-2-enylamino]-1-prop-2-enylquinoxalin-2-one has a molecular weight of 374.44 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-(2-methoxyphenyl)methylideneamino]-prop-2-enylamino]-1-prop-2-enylquinoxalin-2-one is sourced from PubChem (CID 51032667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).