N-[(Z)-(2-nitrophenyl)methylideneamino]quinoline-6-carboxamide

C17H12N4O3 — CID 155522498

IUPACN-[(Z)-(2-nitrophenyl)methylideneamino]quinoline-6-carboxamide
SMILESO=C(N/N=C\c1ccccc1[N+](=O)[O-])c1ccc2ncccc2c1
InChIInChI=1S/C17H12N4O3/c22-17(13-7-8-15-12(10-13)5-3-9-18-15)20-19-11-14-4-1-2-6-16(14)21(23)24/h1-11H,(H,20,22)/b19-11-
InChIKeyRHIXUXPVJFFMLW-ODLFYWEKSA-N
MW320.31 g/mol
LogP2.91
Rot. Bonds4

About N-[(Z)-(2-nitrophenyl)methylideneamino]quinoline-6-carboxamide

N-[(Z)-(2-nitrophenyl)methylideneamino]quinoline-6-carboxamide (PubChem CID 155522498) has the molecular formula C17H12N4O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-[(Z)-(2-nitrophenyl)methylideneamino]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-nitrophenyl)methylideneamino]quinoline-6-carboxamide
PubChem CID155522498
Molecular FormulaC17H12N4O3
Molecular Weight320.31 g/mol
Exact Mass320.09
IUPAC NameN-[(Z)-(2-nitrophenyl)methylideneamino]quinoline-6-carboxamide
SMILESO=C(N/N=C\c1ccccc1[N+](=O)[O-])c1ccc2ncccc2c1
InChIInChI=1S/C17H12N4O3/c22-17(13-7-8-15-12(10-13)5-3-9-18-15)20-19-11-14-4-1-2-6-16(14)21(23)24/h1-11H,(H,20,22)/b19-11-
InChIKeyRHIXUXPVJFFMLW-ODLFYWEKSA-N
XLogP2.91
TPSA97.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(2-nitrophenyl)methylideneamino]quinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6872935
N-[(Z)-(2-fluorophenyl)methylideneamino]quinoline-6-carboxamide
CID 155530884
N-[(E)-(2-nitrophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6907887
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-6-carboxamide
CID 155558267
N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenyl-3H-benzimidazole-5-carboxamide
CID 110527226
3-iodo-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 5332346
N-(1H-indol-3-ylmethylideneamino)quinoline-6-carboxamide
CID 1477968
3-nitro-N-(quinolin-8-ylmethylideneamino)benzamide
CID 869572
1-ethyl-2-methyl-N-[(2-nitrophenyl)methylideneamino]benzimidazole-5-carboxamide
CID 2588560
3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6870532
N-[(2-nitrophenyl)methylideneamino]-4-sulfamoylbenzamide
CID 6737093
3,4,5-trimethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 5435097

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-nitrophenyl)methylideneamino]quinoline-6-carboxamide?
The IUPAC name of N-[(Z)-(2-nitrophenyl)methylideneamino]quinoline-6-carboxamide (CID 155522498) is N-[(Z)-(2-nitrophenyl)methylideneamino]quinoline-6-carboxamide.
What is the SMILES notation for N-[(Z)-(2-nitrophenyl)methylideneamino]quinoline-6-carboxamide?
The canonical SMILES for N-[(Z)-(2-nitrophenyl)methylideneamino]quinoline-6-carboxamide is O=C(N/N=C\c1ccccc1[N+](=O)[O-])c1ccc2ncccc2c1.
What is the InChIKey of N-[(Z)-(2-nitrophenyl)methylideneamino]quinoline-6-carboxamide?
The InChIKey is RHIXUXPVJFFMLW-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H12N4O3/c22-17(13-7-8-15-12(10-13)5-3-9-18-15)20-19-11-14-4-1-2-6-16(14)21(23)24/h1-11H,(H,20,22)/b19-11-.
What are the key properties of N-[(Z)-(2-nitrophenyl)methylideneamino]quinoline-6-carboxamide?
N-[(Z)-(2-nitrophenyl)methylideneamino]quinoline-6-carboxamide has a molecular weight of 320.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-nitrophenyl)methylideneamino]quinoline-6-carboxamide is sourced from PubChem (CID 155522498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).