6-methoxy-7-(2-methoxyethoxy)-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile

C23H25N3O6 — CID 5330112

IUPAC6-methoxy-7-(2-methoxyethoxy)-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile
SMILESCOCCOc1cc2ncc(C#N)c(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
InChIInChI=1S/C23H25N3O6/c1-27-6-7-32-19-11-17-16(10-18(19)28-2)22(14(12-24)13-25-17)26-15-8-20(29-3)23(31-5)21(9-15)30-4/h8-11,13H,6-7H2,1-5H3,(H,25,26)
InChIKeyCEWSFUURKWZZLP-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.91
Rot. Bonds10

About 6-methoxy-7-(2-methoxyethoxy)-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile

6-methoxy-7-(2-methoxyethoxy)-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile (PubChem CID 5330112) has the molecular formula C23H25N3O6 and a molecular weight of 439.47 g/mol. Its IUPAC name is 6-methoxy-7-(2-methoxyethoxy)-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-methoxy-7-(2-methoxyethoxy)-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile
PubChem CID5330112
Molecular FormulaC23H25N3O6
Molecular Weight439.47 g/mol
Exact Mass439.17
IUPAC Name6-methoxy-7-(2-methoxyethoxy)-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile
SMILESCOCCOc1cc2ncc(C#N)c(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
InChIInChI=1S/C23H25N3O6/c1-27-6-7-32-19-11-17-16(10-18(19)28-2)22(14(12-24)13-25-17)26-15-8-20(29-3)23(31-5)21(9-15)30-4/h8-11,13H,6-7H2,1-5H3,(H,25,26)
InChIKeyCEWSFUURKWZZLP-UHFFFAOYSA-N
XLogP3.91
TPSA104.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-(2-methoxyethoxy)-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile?
The IUPAC name of 6-methoxy-7-(2-methoxyethoxy)-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile (CID 5330112) is 6-methoxy-7-(2-methoxyethoxy)-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-methoxy-7-(2-methoxyethoxy)-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile?
The canonical SMILES for 6-methoxy-7-(2-methoxyethoxy)-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile is COCCOc1cc2ncc(C#N)c(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC.
What is the InChIKey of 6-methoxy-7-(2-methoxyethoxy)-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile?
The InChIKey is CEWSFUURKWZZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6/c1-27-6-7-32-19-11-17-16(10-18(19)28-2)22(14(12-24)13-25-17)26-15-8-20(29-3)23(31-5)21(9-15)30-4/h8-11,13H,6-7H2,1-5H3,(H,25,26).
What are the key properties of 6-methoxy-7-(2-methoxyethoxy)-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile?
6-methoxy-7-(2-methoxyethoxy)-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile has a molecular weight of 439.47 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-(2-methoxyethoxy)-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile is sourced from PubChem (CID 5330112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).