N-[(E)-(4-chlorophenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide

C16H11ClN4O2 — CID 90481651

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C16H11ClN4O2/c17-11-7-5-10(6-8-11)9-18-21-16(23)14-15(22)20-13-4-2-1-3-12(13)19-14/h1-9H,(H,20,22)(H,21,23)/b18-9+
InChIKeyKMSILUPPRJEKAF-GIJQJNRQSA-N
MW326.74 g/mol
LogP2.34
Rot. Bonds3

About N-[(E)-(4-chlorophenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide

N-[(E)-(4-chlorophenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide (PubChem CID 90481651) has the molecular formula C16H11ClN4O2 and a molecular weight of 326.74 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide
PubChem CID90481651
Molecular FormulaC16H11ClN4O2
Molecular Weight326.74 g/mol
Exact Mass326.06
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C16H11ClN4O2/c17-11-7-5-10(6-8-11)9-18-21-16(23)14-15(22)20-13-4-2-1-3-12(13)19-14/h1-9H,(H,20,22)(H,21,23)/b18-9+
InChIKeyKMSILUPPRJEKAF-GIJQJNRQSA-N
XLogP2.34
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(E)-(4-methoxyphenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide
CID 90481653
N-[(E)-(4-chlorophenyl)methylideneamino]-1,3-benzothiazole-2-carboxamide
CID 15366501
N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 6877145
N-[(E)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide
CID 14983889
3-oxo-N-propyl-4H-quinoxaline-2-carboxamide
CID 143678915
N-[(Z)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 136786973
N-(benzylideneamino)-4-oxo-3H-quinazoline-2-carboxamide
CID 135449642
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
[4-[(Z)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 94844750
2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135719981
N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-indazole-3-carboxamide
CID 135740342
N-(3-methoxy-2,2-dimethylpropyl)-3-oxo-4H-quinoxaline-2-carboxamide
CID 56714407

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide (CID 90481651) is N-[(E)-(4-chlorophenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide is O=C(N/N=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]c1=O.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide?
The InChIKey is KMSILUPPRJEKAF-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H11ClN4O2/c17-11-7-5-10(6-8-11)9-18-21-16(23)14-15(22)20-13-4-2-1-3-12(13)19-14/h1-9H,(H,20,22)(H,21,23)/b18-9+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide has a molecular weight of 326.74 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide is sourced from PubChem (CID 90481651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).