N-[(2-chlorophenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide

C18H15ClN4O2 — CID 75150430

IUPACN-[(2-chlorophenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
SMILESCc1nc2ccccc2n(CC(=O)NN=Cc2ccccc2Cl)c1=O
InChIInChI=1S/C18H15ClN4O2/c1-12-18(25)23(16-9-5-4-8-15(16)21-12)11-17(24)22-20-10-13-6-2-3-7-14(13)19/h2-10H,11H2,1H3,(H,22,24)
InChIKeyNLMCSVFHLYHAON-UHFFFAOYSA-N
MW354.80 g/mol
LogP2.51
Rot. Bonds4

About N-[(2-chlorophenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide

N-[(2-chlorophenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide (PubChem CID 75150430) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
PubChem CID75150430
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC NameN-[(2-chlorophenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
SMILESCc1nc2ccccc2n(CC(=O)NN=Cc2ccccc2Cl)c1=O
InChIInChI=1S/C18H15ClN4O2/c1-12-18(25)23(16-9-5-4-8-15(16)21-12)11-17(24)22-20-10-13-6-2-3-7-14(13)19/h2-10H,11H2,1H3,(H,22,24)
InChIKeyNLMCSVFHLYHAON-UHFFFAOYSA-N
XLogP2.51
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121440
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 127033876
2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide
CID 728512
2-(3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide
CID 14616290
2-(6-benzoyl-3-methyl-2-oxoquinoxalin-1-yl)-N-(benzylideneamino)acetamide
CID 23242066
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 10665227
N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4173634
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295466
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide
CID 9121317
N-[(2-chlorophenyl)methylideneamino]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
CID 4155202
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 57333394
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
CID 71658493

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide (CID 75150430) is N-[(2-chlorophenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide is Cc1nc2ccccc2n(CC(=O)NN=Cc2ccccc2Cl)c1=O.
What is the InChIKey of N-[(2-chlorophenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is NLMCSVFHLYHAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-12-18(25)23(16-9-5-4-8-15(16)21-12)11-17(24)22-20-10-13-6-2-3-7-14(13)19/h2-10H,11H2,1H3,(H,22,24).
What are the key properties of N-[(2-chlorophenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
N-[(2-chlorophenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 354.80 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 75150430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).