3-nitro-N-(quinolin-8-ylmethylideneamino)benzamide

C17H12N4O3 — CID 869572

IUPAC3-nitro-N-(quinolin-8-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1cccc2cccnc12)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H12N4O3/c22-17(13-5-2-8-15(10-13)21(23)24)20-19-11-14-6-1-4-12-7-3-9-18-16(12)14/h1-11H,(H,20,22)
InChIKeyBCDFTDNCRNSEAC-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.91
Rot. Bonds4

About 3-nitro-N-(quinolin-8-ylmethylideneamino)benzamide

3-nitro-N-(quinolin-8-ylmethylideneamino)benzamide (PubChem CID 869572) has the molecular formula C17H12N4O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is 3-nitro-N-(quinolin-8-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name3-nitro-N-(quinolin-8-ylmethylideneamino)benzamide
PubChem CID869572
Molecular FormulaC17H12N4O3
Molecular Weight320.31 g/mol
Exact Mass320.09
IUPAC Name3-nitro-N-(quinolin-8-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1cccc2cccnc12)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H12N4O3/c22-17(13-5-2-8-15(10-13)21(23)24)20-19-11-14-6-1-4-12-7-3-9-18-16(12)14/h1-11H,(H,20,22)
InChIKeyBCDFTDNCRNSEAC-UHFFFAOYSA-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 3-nitro-N-(quinolin-8-ylmethylideneamino)benzamide 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-[(Z)-(8-hydroxy-5-nitroquinolin-7-yl)methylideneamino]-3-nitrobenzamide
CID 137172037
3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5405168
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 136912782
4-nitro-N-(quinoxalin-5-ylmethylideneamino)benzamide
CID 3782779
N-[(Z)-(2-nitrophenyl)methylideneamino]quinoline-6-carboxamide
CID 155522498
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3983517
2-[(E)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
CID 135582503
N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 137122752
3-nitro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 6305635
3-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135425021
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 137173454
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 110506784

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(quinolin-8-ylmethylideneamino)benzamide?
The IUPAC name of 3-nitro-N-(quinolin-8-ylmethylideneamino)benzamide (CID 869572) is 3-nitro-N-(quinolin-8-ylmethylideneamino)benzamide.
What is the SMILES notation for 3-nitro-N-(quinolin-8-ylmethylideneamino)benzamide?
The canonical SMILES for 3-nitro-N-(quinolin-8-ylmethylideneamino)benzamide is O=C(NN=Cc1cccc2cccnc12)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-(quinolin-8-ylmethylideneamino)benzamide?
The InChIKey is BCDFTDNCRNSEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3/c22-17(13-5-2-8-15(10-13)21(23)24)20-19-11-14-6-1-4-12-7-3-9-18-16(12)14/h1-11H,(H,20,22).
What are the key properties of 3-nitro-N-(quinolin-8-ylmethylideneamino)benzamide?
3-nitro-N-(quinolin-8-ylmethylideneamino)benzamide 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 3-nitro-N-(quinolin-8-ylmethylideneamino)benzamide is sourced from PubChem (CID 869572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).