8-methoxy-7-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile

C30H32N4O6 — CID 5330433

IUPAC8-methoxy-7-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile
SMILESCOc1cc2cc3ncc(C#N)c(Nc4cc(OC)c(OC)c(OC)c4)c3cc2cc1OCCN1CCOCC1
InChIInChI=1S/C30H32N4O6/c1-35-25-13-20-12-24-23(11-19(20)14-26(25)40-10-7-34-5-8-39-9-6-34)29(21(17-31)18-32-24)33-22-15-27(36-2)30(38-4)28(16-22)37-3/h11-16,18H,5-10H2,1-4H3,(H,32,33)
InChIKeyIJEOPJJXRIIVFU-UHFFFAOYSA-N
MW544.61 g/mol
LogP4.75
Rot. Bonds10

About 8-methoxy-7-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile

8-methoxy-7-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile (PubChem CID 5330433) has the molecular formula C30H32N4O6 and a molecular weight of 544.61 g/mol. Its IUPAC name is 8-methoxy-7-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile.

Molecular Properties

Compound Name8-methoxy-7-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile
PubChem CID5330433
Molecular FormulaC30H32N4O6
Molecular Weight544.61 g/mol
Exact Mass544.23
IUPAC Name8-methoxy-7-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile
SMILESCOc1cc2cc3ncc(C#N)c(Nc4cc(OC)c(OC)c(OC)c4)c3cc2cc1OCCN1CCOCC1
InChIInChI=1S/C30H32N4O6/c1-35-25-13-20-12-24-23(11-19(20)14-26(25)40-10-7-34-5-8-39-9-6-34)29(21(17-31)18-32-24)33-22-15-27(36-2)30(38-4)28(16-22)37-3/h11-16,18H,5-10H2,1-4H3,(H,32,33)
InChIKeyIJEOPJJXRIIVFU-UHFFFAOYSA-N
XLogP4.75
TPSA107.33 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.61
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 8-methoxy-7-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile 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 8-methoxy-7-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile?
The IUPAC name of 8-methoxy-7-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile (CID 5330433) is 8-methoxy-7-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile.
What is the SMILES notation for 8-methoxy-7-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile?
The canonical SMILES for 8-methoxy-7-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile is COc1cc2cc3ncc(C#N)c(Nc4cc(OC)c(OC)c(OC)c4)c3cc2cc1OCCN1CCOCC1.
What is the InChIKey of 8-methoxy-7-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile?
The InChIKey is IJEOPJJXRIIVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O6/c1-35-25-13-20-12-24-23(11-19(20)14-26(25)40-10-7-34-5-8-39-9-6-34)29(21(17-31)18-32-24)33-22-15-27(36-2)30(38-4)28(16-22)37-3/h11-16,18H,5-10H2,1-4H3,(H,32,33).
What are the key properties of 8-methoxy-7-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile?
8-methoxy-7-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile has a molecular weight of 544.61 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-7-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile is sourced from PubChem (CID 5330433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).