4-nitro-N-[(E)-quinolin-6-ylmethylideneamino]aniline

C16H12N4O2 — CID 51682498

IUPAC4-nitro-N-[(E)-quinolin-6-ylmethylideneamino]aniline
SMILESO=[N+]([O-])c1ccc(N/N=C/c2ccc3ncccc3c2)cc1
InChIInChI=1S/C16H12N4O2/c21-20(22)15-6-4-14(5-7-15)19-18-11-12-3-8-16-13(10-12)2-1-9-17-16/h1-11,19H/b18-11+
InChIKeyUTDGBHPGEVDGRI-WOJGMQOQSA-N
MW292.30 g/mol
LogP3.59
Rot. Bonds4

About 4-nitro-N-[(E)-quinolin-6-ylmethylideneamino]aniline

4-nitro-N-[(E)-quinolin-6-ylmethylideneamino]aniline (PubChem CID 51682498) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-nitro-N-[(E)-quinolin-6-ylmethylideneamino]aniline.

Molecular Properties

Compound Name4-nitro-N-[(E)-quinolin-6-ylmethylideneamino]aniline
PubChem CID51682498
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name4-nitro-N-[(E)-quinolin-6-ylmethylideneamino]aniline
SMILESO=[N+]([O-])c1ccc(N/N=C/c2ccc3ncccc3c2)cc1
InChIInChI=1S/C16H12N4O2/c21-20(22)15-6-4-14(5-7-15)19-18-11-12-3-8-16-13(10-12)2-1-9-17-16/h1-11,19H/b18-11+
InChIKeyUTDGBHPGEVDGRI-WOJGMQOQSA-N
XLogP3.59
TPSA80.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.59
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'}

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Related Compounds

N-(naphthalen-2-ylmethylideneamino)-4-nitroaniline
CID 4505951
3,4-dichloro-N-(quinolin-6-ylmethylideneamino)aniline
CID 4545818
3,4-dichloro-N-[(Z)-quinolin-6-ylmethylideneamino]aniline
CID 6146065
N-[(E)-benzylideneamino]-4-nitroaniline
CID 6436771
N-[(Z)-quinolin-6-ylmethylideneamino]-1H-benzimidazol-2-amine
CID 6036074
4-nitro-N-[(Z)-[8-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]anthracen-1-yl]methylideneamino]aniline
CID 177457037
4-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 5377402
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline
CID 6131990
2-bromo-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 136913851
2-nitro-4-(quinolin-6-yliminomethyl)phenol
CID 137050517
4-nitro-N-[(Z)-(4-pyrrol-1-ylphenyl)methylideneamino]aniline
CID 40606782
4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 7329457

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[(E)-quinolin-6-ylmethylideneamino]aniline?
The IUPAC name of 4-nitro-N-[(E)-quinolin-6-ylmethylideneamino]aniline (CID 51682498) is 4-nitro-N-[(E)-quinolin-6-ylmethylideneamino]aniline.
What is the SMILES notation for 4-nitro-N-[(E)-quinolin-6-ylmethylideneamino]aniline?
The canonical SMILES for 4-nitro-N-[(E)-quinolin-6-ylmethylideneamino]aniline is O=[N+]([O-])c1ccc(N/N=C/c2ccc3ncccc3c2)cc1.
What is the InChIKey of 4-nitro-N-[(E)-quinolin-6-ylmethylideneamino]aniline?
The InChIKey is UTDGBHPGEVDGRI-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H12N4O2/c21-20(22)15-6-4-14(5-7-15)19-18-11-12-3-8-16-13(10-12)2-1-9-17-16/h1-11,19H/b18-11+.
What are the key properties of 4-nitro-N-[(E)-quinolin-6-ylmethylideneamino]aniline?
4-nitro-N-[(E)-quinolin-6-ylmethylideneamino]aniline has a molecular weight of 292.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[(E)-quinolin-6-ylmethylideneamino]aniline is sourced from PubChem (CID 51682498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).