3-[(2E)-2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one;hydrochloride

C19H19ClN4O3 — CID 137120246

IUPAC3-[(2E)-2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one;hydrochloride
SMILESC=CCc1cc(/C=N/Nc2nc3ccccc3[nH]c2=O)cc(OC)c1O.Cl
InChIInChI=1S/C19H18N4O3.ClH/c1-3-6-13-9-12(10-16(26-2)17(13)24)11-20-23-18-19(25)22-15-8-5-4-7-14(15)21-18;/h3-5,7-11,24H,1,6H2,2H3,(H,21,23)(H,22,25);1H/b20-11+;
InChIKeyUCVQQAQRZJKEFO-DOELHFPHSA-N
MW386.84 g/mol
LogP3.23
Rot. Bonds6

About 3-[(2E)-2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one;hydrochloride

3-[(2E)-2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one;hydrochloride (PubChem CID 137120246) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 3-[(2E)-2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[(2E)-2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one;hydrochloride
PubChem CID137120246
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Name3-[(2E)-2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one;hydrochloride
SMILESC=CCc1cc(/C=N/Nc2nc3ccccc3[nH]c2=O)cc(OC)c1O.Cl
InChIInChI=1S/C19H18N4O3.ClH/c1-3-6-13-9-12(10-16(26-2)17(13)24)11-20-23-18-19(25)22-15-8-5-4-7-14(15)21-18;/h3-5,7-11,24H,1,6H2,2H3,(H,21,23)(H,22,25);1H/b20-11+;
InChIKeyUCVQQAQRZJKEFO-DOELHFPHSA-N
XLogP3.23
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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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Related Compounds

3-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 6004069
2-methoxy-6-prop-2-enyl-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 136704845
3-[(2Z)-2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 6036204
4-[(benzylhydrazinylidene)methyl]-2-methoxy-6-prop-2-enylphenol
CID 136704588
3-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 135607179
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 136851168
N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 135684476
4-[(E)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxy-6-prop-2-enylphenol
CID 137126682
N-(2-bromophenyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]propanediamide
CID 135679858
N-(2-bromophenyl)-N'-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]propanediamide
CID 5136031
N-(4-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]propanediamide
CID 135716370
3-bromo-N-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]benzamide
CID 137149844

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one;hydrochloride?
The IUPAC name of 3-[(2E)-2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one;hydrochloride (CID 137120246) is 3-[(2E)-2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one;hydrochloride.
What is the SMILES notation for 3-[(2E)-2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one;hydrochloride?
The canonical SMILES for 3-[(2E)-2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one;hydrochloride is C=CCc1cc(/C=N/Nc2nc3ccccc3[nH]c2=O)cc(OC)c1O.Cl.
What is the InChIKey of 3-[(2E)-2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one;hydrochloride?
The InChIKey is UCVQQAQRZJKEFO-DOELHFPHSA-N. The full InChI is InChI=1S/C19H18N4O3.ClH/c1-3-6-13-9-12(10-16(26-2)17(13)24)11-20-23-18-19(25)22-15-8-5-4-7-14(15)21-18;/h3-5,7-11,24H,1,6H2,2H3,(H,21,23)(H,22,25);1H/b20-11+;.
What are the key properties of 3-[(2E)-2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one;hydrochloride?
3-[(2E)-2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one;hydrochloride has a molecular weight of 386.84 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one;hydrochloride is sourced from PubChem (CID 137120246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).