(3,4-dimethoxyphenyl)-(4-nitronaphthalen-1-yl)diazene

C18H15N3O4 — CID 586527

IUPAC(3,4-dimethoxyphenyl)-(4-nitronaphthalen-1-yl)diazene
SMILESCOc1ccc(/N=N/c2ccc([N+](=O)[O-])c3ccccc23)cc1OC
InChIInChI=1S/C18H15N3O4/c1-24-17-10-7-12(11-18(17)25-2)19-20-15-8-9-16(21(22)23)14-6-4-3-5-13(14)15/h3-11H,1-2H3/b20-19+
InChIKeyBRBLXOBGONFOPC-FMQUCBEESA-N
MW337.34 g/mol
LogP5.18
Rot. Bonds5

About (3,4-dimethoxyphenyl)-(4-nitronaphthalen-1-yl)diazene

(3,4-dimethoxyphenyl)-(4-nitronaphthalen-1-yl)diazene (PubChem CID 586527) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(4-nitronaphthalen-1-yl)diazene.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(4-nitronaphthalen-1-yl)diazene
PubChem CID586527
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name(3,4-dimethoxyphenyl)-(4-nitronaphthalen-1-yl)diazene
SMILESCOc1ccc(/N=N/c2ccc([N+](=O)[O-])c3ccccc23)cc1OC
InChIInChI=1S/C18H15N3O4/c1-24-17-10-7-12(11-18(17)25-2)19-20-15-8-9-16(21(22)23)14-6-4-3-5-13(14)15/h3-11H,1-2H3/b20-19+
InChIKeyBRBLXOBGONFOPC-FMQUCBEESA-N
XLogP5.18
TPSA86.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.34
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3,4-dimethoxyphenyl)-(4-nitronaphthalen-1-yl)diazene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(4-nitronaphthalen-1-yl)diazene?
The IUPAC name of (3,4-dimethoxyphenyl)-(4-nitronaphthalen-1-yl)diazene (CID 586527) is (3,4-dimethoxyphenyl)-(4-nitronaphthalen-1-yl)diazene.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(4-nitronaphthalen-1-yl)diazene?
The canonical SMILES for (3,4-dimethoxyphenyl)-(4-nitronaphthalen-1-yl)diazene is COc1ccc(/N=N/c2ccc([N+](=O)[O-])c3ccccc23)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(4-nitronaphthalen-1-yl)diazene?
The InChIKey is BRBLXOBGONFOPC-FMQUCBEESA-N. The full InChI is InChI=1S/C18H15N3O4/c1-24-17-10-7-12(11-18(17)25-2)19-20-15-8-9-16(21(22)23)14-6-4-3-5-13(14)15/h3-11H,1-2H3/b20-19+.
What are the key properties of (3,4-dimethoxyphenyl)-(4-nitronaphthalen-1-yl)diazene?
(3,4-dimethoxyphenyl)-(4-nitronaphthalen-1-yl)diazene has a molecular weight of 337.34 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(4-nitronaphthalen-1-yl)diazene is sourced from PubChem (CID 586527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).