N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide

C19H18N4O4 — CID 137175240

IUPACN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
SMILESCOc1cccc(/C=N/NC(=O)Cn2c(=O)c(C)nc3ccccc32)c1O
InChIInChI=1S/C19H18N4O4/c1-12-19(26)23(15-8-4-3-7-14(15)21-12)11-17(24)22-20-10-13-6-5-9-16(27-2)18(13)25/h3-10,25H,11H2,1-2H3,(H,22,24)/b20-10+
InChIKeyCCUIQQQOTMTBBN-KEBDBYFISA-N
MW366.38 g/mol
LogP1.57
Rot. Bonds5

About N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide (PubChem CID 137175240) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
PubChem CID137175240
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
SMILESCOc1cccc(/C=N/NC(=O)Cn2c(=O)c(C)nc3ccccc32)c1O
InChIInChI=1S/C19H18N4O4/c1-12-19(26)23(15-8-4-3-7-14(15)21-12)11-17(24)22-20-10-13-6-5-9-16(27-2)18(13)25/h3-10,25H,11H2,1-2H3,(H,22,24)/b20-10+
InChIKeyCCUIQQQOTMTBBN-KEBDBYFISA-N
XLogP1.57
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-({2-[2-(2-hydroxy-3-methoxybenzylidene)hydrazino]-2-oxoethyl}thio)-N-phenylacetamide
CID 135438761
(E)-3-(2-(4-Hydroxy-3-methoxybenzylidene)hydrazinyl)quinoxalin-2(1H)-one
CID 135439684
3-{N'-[(E)-(4-Hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}-N-(4-methylphenyl)propanamide
CID 135439767
2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid
CID 136961597
2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]-N-(trifluoromethylsulfonyl)acetamide
CID 155553608
Benzaldehyde, 2-methoxy-, 2-[3,4-dihydro-3-oxo-4-(2-propen-1-yl)-2-quinoxalinyl]hydrazone, [C(E)]-
CID 51032536
1-Piperazineacetic acid, 4-phenyl-, ((3-hydroxy-4-methoxyphenyl)methylene)hydrazide
CID 9588025
1-Piperazineacetic acid, 4-phenyl-, ((2,3-dimethoxyphenyl)methylene)hydrazide
CID 9588027
1-Piperazineacetic acid, 4-phenyl-, ((3,4-dimethoxyphenyl)methylene)hydrazide
CID 9588028
1-Piperazineacetic acid, 4-(2-methylphenyl)-, ((3-hydroxy-4-methoxyphenyl)methylene)hydrazide
CID 9588031
1-Piperazineacetic acid, 4-(2-methylphenyl)-, ((2,3-dimethoxyphenyl)methylene)hydrazide
CID 9588033
1-Piperazineacetic acid, 4-(2-methylphenyl)-, ((3,4-dimethoxyphenyl)methylene)hydrazide
CID 9588034

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide (CID 137175240) is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide is COc1cccc(/C=N/NC(=O)Cn2c(=O)c(C)nc3ccccc32)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is CCUIQQQOTMTBBN-KEBDBYFISA-N. The full InChI is InChI=1S/C19H18N4O4/c1-12-19(26)23(15-8-4-3-7-14(15)21-12)11-17(24)22-20-10-13-6-5-9-16(27-2)18(13)25/h3-10,25H,11H2,1-2H3,(H,22,24)/b20-10+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 366.38 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 137175240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).