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

C22H19N3 — CID 793172

IUPAC1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-quinolin-6-ylmethanimine
SMILESCc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccccc1
InChIInChI=1S/C22H19N3/c1-16-13-19(17(2)25(16)21-8-4-3-5-9-21)15-24-20-10-11-22-18(14-20)7-6-12-23-22/h3-15H,1-2H3/b24-15+
InChIKeySQOYNCWBIPYBTF-BUVRLJJBSA-N
MW325.42 g/mol
LogP5.39
Rot. Bonds3

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

1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-quinolin-6-ylmethanimine (PubChem CID 793172) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-quinolin-6-ylmethanimine.

Molecular Properties

Compound Name1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-quinolin-6-ylmethanimine
PubChem CID793172
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-quinolin-6-ylmethanimine
SMILESCc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccccc1
InChIInChI=1S/C22H19N3/c1-16-13-19(17(2)25(16)21-8-4-3-5-9-21)15-24-20-10-11-22-18(14-20)7-6-12-23-22/h3-15H,1-2H3/b24-15+
InChIKeySQOYNCWBIPYBTF-BUVRLJJBSA-N
XLogP5.39
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-phenylpyrrol-3-yl)-N-quinolin-6-ylmethanimine?
The IUPAC name of 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-quinolin-6-ylmethanimine (CID 793172) is 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-quinolin-6-ylmethanimine.
What is the SMILES notation for 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-quinolin-6-ylmethanimine?
The canonical SMILES for 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-quinolin-6-ylmethanimine is Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccccc1.
What is the InChIKey of 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-quinolin-6-ylmethanimine?
The InChIKey is SQOYNCWBIPYBTF-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H19N3/c1-16-13-19(17(2)25(16)21-8-4-3-5-9-21)15-24-20-10-11-22-18(14-20)7-6-12-23-22/h3-15H,1-2H3/b24-15+.
What are the key properties of 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-quinolin-6-ylmethanimine?
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-quinolin-6-ylmethanimine has a molecular weight of 325.42 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-quinolin-6-ylmethanimine is sourced from PubChem (CID 793172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).