2-(3,5-dimethylphenyl)-7-pyrrol-1-ylquinoline

C21H18N2 — CID 59288750

IUPAC2-(3,5-dimethylphenyl)-7-pyrrol-1-ylquinoline
SMILESCc1cc(C)cc(-c2ccc3ccc(-n4cccc4)cc3n2)c1
InChIInChI=1S/C21H18N2/c1-15-11-16(2)13-18(12-15)20-8-6-17-5-7-19(14-21(17)22-20)23-9-3-4-10-23/h3-14H,1-2H3
InChIKeyRWUSRRLJJREEGZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.31
Rot. Bonds2

About 2-(3,5-dimethylphenyl)-7-pyrrol-1-ylquinoline

2-(3,5-dimethylphenyl)-7-pyrrol-1-ylquinoline (PubChem CID 59288750) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-7-pyrrol-1-ylquinoline.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-7-pyrrol-1-ylquinoline
PubChem CID59288750
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name2-(3,5-dimethylphenyl)-7-pyrrol-1-ylquinoline
SMILESCc1cc(C)cc(-c2ccc3ccc(-n4cccc4)cc3n2)c1
InChIInChI=1S/C21H18N2/c1-15-11-16(2)13-18(12-15)20-8-6-17-5-7-19(14-21(17)22-20)23-9-3-4-10-23/h3-14H,1-2H3
InChIKeyRWUSRRLJJREEGZ-UHFFFAOYSA-N
XLogP5.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-dimethylphenyl)-7-pyrrol-1-ylquinoline 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 2-(3,5-dimethylphenyl)-7-pyrrol-1-ylquinoline?
The IUPAC name of 2-(3,5-dimethylphenyl)-7-pyrrol-1-ylquinoline (CID 59288750) is 2-(3,5-dimethylphenyl)-7-pyrrol-1-ylquinoline.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-7-pyrrol-1-ylquinoline?
The canonical SMILES for 2-(3,5-dimethylphenyl)-7-pyrrol-1-ylquinoline is Cc1cc(C)cc(-c2ccc3ccc(-n4cccc4)cc3n2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-7-pyrrol-1-ylquinoline?
The InChIKey is RWUSRRLJJREEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-15-11-16(2)13-18(12-15)20-8-6-17-5-7-19(14-21(17)22-20)23-9-3-4-10-23/h3-14H,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-7-pyrrol-1-ylquinoline?
2-(3,5-dimethylphenyl)-7-pyrrol-1-ylquinoline has a molecular weight of 298.39 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-7-pyrrol-1-ylquinoline is sourced from PubChem (CID 59288750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).