1-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)-N-quinolin-6-ylmethanimine

C25H20N4 — CID 23931095

IUPAC1-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)-N-quinolin-6-ylmethanimine
SMILESCc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccc2ncccc2c1
InChIInChI=1S/C25H20N4/c1-17-13-21(16-28-22-7-9-24-19(14-22)5-3-11-26-24)18(2)29(17)23-8-10-25-20(15-23)6-4-12-27-25/h3-16H,1-2H3/b28-16+
InChIKeyGDFHDMVUTWKZPW-LQKURTRISA-N
MW376.46 g/mol
LogP5.94
Rot. Bonds3

About 1-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)-N-quinolin-6-ylmethanimine

1-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)-N-quinolin-6-ylmethanimine (PubChem CID 23931095) has the molecular formula C25H20N4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)-N-quinolin-6-ylmethanimine.

Molecular Properties

Compound Name1-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)-N-quinolin-6-ylmethanimine
PubChem CID23931095
Molecular FormulaC25H20N4
Molecular Weight376.46 g/mol
Exact Mass376.17
IUPAC Name1-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)-N-quinolin-6-ylmethanimine
SMILESCc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccc2ncccc2c1
InChIInChI=1S/C25H20N4/c1-17-13-21(16-28-22-7-9-24-19(14-22)5-3-11-26-24)18(2)29(17)23-8-10-25-20(15-23)6-4-12-27-25/h3-16H,1-2H3/b28-16+
InChIKeyGDFHDMVUTWKZPW-LQKURTRISA-N
XLogP5.94
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)-N-quinolin-6-ylmethanimine?
The IUPAC name of 1-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)-N-quinolin-6-ylmethanimine (CID 23931095) is 1-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)-N-quinolin-6-ylmethanimine.
What is the SMILES notation for 1-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)-N-quinolin-6-ylmethanimine?
The canonical SMILES for 1-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)-N-quinolin-6-ylmethanimine is Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccc2ncccc2c1.
What is the InChIKey of 1-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)-N-quinolin-6-ylmethanimine?
The InChIKey is GDFHDMVUTWKZPW-LQKURTRISA-N. The full InChI is InChI=1S/C25H20N4/c1-17-13-21(16-28-22-7-9-24-19(14-22)5-3-11-26-24)18(2)29(17)23-8-10-25-20(15-23)6-4-12-27-25/h3-16H,1-2H3/b28-16+.
What are the key properties of 1-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)-N-quinolin-6-ylmethanimine?
1-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)-N-quinolin-6-ylmethanimine has a molecular weight of 376.46 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)-N-quinolin-6-ylmethanimine is sourced from PubChem (CID 23931095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).