3-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one

C18H18N4O4 — CID 6004069

IUPAC3-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
SMILESCOc1cc(/C=N\Nc2nc3ccccc3[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C18H18N4O4/c1-24-14-8-11(9-15(25-2)16(14)26-3)10-19-22-17-18(23)21-13-7-5-4-6-12(13)20-17/h4-10H,1-3H3,(H,20,22)(H,21,23)/b19-10-
InChIKeyCQSSPEVTZAHIML-GRSHGNNSSA-N
MW354.37 g/mol
LogP2.39
Rot. Bonds6

About 3-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one

3-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one (PubChem CID 6004069) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 3-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
PubChem CID6004069
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name3-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
SMILESCOc1cc(/C=N\Nc2nc3ccccc3[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C18H18N4O4/c1-24-14-8-11(9-15(25-2)16(14)26-3)10-19-22-17-18(23)21-13-7-5-4-6-12(13)20-17/h4-10H,1-3H3,(H,20,22)(H,21,23)/b19-10-
InChIKeyCQSSPEVTZAHIML-GRSHGNNSSA-N
XLogP2.39
TPSA97.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

3-[(2E)-2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one;hydrochloride
CID 137120246
N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 6266969
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 136851168
3-[(2Z)-2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 6036204
3-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 3850152
N-[(3,4,5-trimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6828163
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-1H-benzimidazol-2-amine
CID 126056124
4-methyl-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135512705
N-[(Z)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 110514854
methyl 2-(1H-benzimidazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate;hydrochloride
CID 91941964
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]-1H-benzimidazol-2-amine
CID 110514842
3-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 171979348

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one (CID 6004069) is 3-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one is COc1cc(/C=N\Nc2nc3ccccc3[nH]c2=O)cc(OC)c1OC.
What is the InChIKey of 3-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
The InChIKey is CQSSPEVTZAHIML-GRSHGNNSSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-24-14-8-11(9-15(25-2)16(14)26-3)10-19-22-17-18(23)21-13-7-5-4-6-12(13)20-17/h4-10H,1-3H3,(H,20,22)(H,21,23)/b19-10-.
What are the key properties of 3-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
3-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one has a molecular weight of 354.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 6004069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).