6-methoxy-N-[(4-nitrophenyl)methylideneamino]quinolin-4-amine

C17H14N4O3 — CID 44537167

IUPAC6-methoxy-N-[(4-nitrophenyl)methylideneamino]quinolin-4-amine
SMILESCOc1ccc2nccc(NN=Cc3ccc([N+](=O)[O-])cc3)c2c1
InChIInChI=1S/C17H14N4O3/c1-24-14-6-7-16-15(10-14)17(8-9-18-16)20-19-11-12-2-4-13(5-3-12)21(22)23/h2-11H,1H3,(H,18,20)
InChIKeyYSHIQFYBJWCOKA-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.60
Rot. Bonds5

About 6-methoxy-N-[(4-nitrophenyl)methylideneamino]quinolin-4-amine

6-methoxy-N-[(4-nitrophenyl)methylideneamino]quinolin-4-amine (PubChem CID 44537167) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 6-methoxy-N-[(4-nitrophenyl)methylideneamino]quinolin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[(4-nitrophenyl)methylideneamino]quinolin-4-amine
PubChem CID44537167
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name6-methoxy-N-[(4-nitrophenyl)methylideneamino]quinolin-4-amine
SMILESCOc1ccc2nccc(NN=Cc3ccc([N+](=O)[O-])cc3)c2c1
InChIInChI=1S/C17H14N4O3/c1-24-14-6-7-16-15(10-14)17(8-9-18-16)20-19-11-12-2-4-13(5-3-12)21(22)23/h2-11H,1H3,(H,18,20)
InChIKeyYSHIQFYBJWCOKA-UHFFFAOYSA-N
XLogP3.60
TPSA89.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 6-methoxy-N-[(4-nitrophenyl)methylideneamino]quinolin-4-amine 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

6-methoxy-N-[(4-nitrophenyl)methylideneamino]-2-phenylquinolin-4-amine
CID 44537075
7-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]quinolin-4-amine
CID 45487017
N-[(E)-(4-chlorophenyl)methylideneamino]-7-methoxyquinolin-4-amine
CID 45481189
4-N-(4-methoxyphenyl)-6-N-(4-nitrophenyl)-2-N-[(4-nitrophenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 3914765
N-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline
CID 3290260
2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-methoxyphenol
CID 4227419
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-nitroaniline
CID 5332551
4-methoxy-2-[(1R)-1-[4-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]phenyl]ethyl]phenol
CID 177439192
4-nitro-N-[(E)-quinolin-6-ylmethylideneamino]aniline
CID 51682498
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline
CID 6131990
2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3651261
2-(4-methoxyphenyl)-2-[6-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]pyridazin-3-yl]acetonitrile
CID 170856495

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(4-nitrophenyl)methylideneamino]quinolin-4-amine?
The IUPAC name of 6-methoxy-N-[(4-nitrophenyl)methylideneamino]quinolin-4-amine (CID 44537167) is 6-methoxy-N-[(4-nitrophenyl)methylideneamino]quinolin-4-amine.
What is the SMILES notation for 6-methoxy-N-[(4-nitrophenyl)methylideneamino]quinolin-4-amine?
The canonical SMILES for 6-methoxy-N-[(4-nitrophenyl)methylideneamino]quinolin-4-amine is COc1ccc2nccc(NN=Cc3ccc([N+](=O)[O-])cc3)c2c1.
What is the InChIKey of 6-methoxy-N-[(4-nitrophenyl)methylideneamino]quinolin-4-amine?
The InChIKey is YSHIQFYBJWCOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-24-14-6-7-16-15(10-14)17(8-9-18-16)20-19-11-12-2-4-13(5-3-12)21(22)23/h2-11H,1H3,(H,18,20).
What are the key properties of 6-methoxy-N-[(4-nitrophenyl)methylideneamino]quinolin-4-amine?
6-methoxy-N-[(4-nitrophenyl)methylideneamino]quinolin-4-amine has a molecular weight of 322.32 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(4-nitrophenyl)methylideneamino]quinolin-4-amine is sourced from PubChem (CID 44537167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).