5-[4-(2,5-dimethylanilino)quinolin-6-yl]pyridine-2-carbonitrile

C23H18N4 — CID 162647235

IUPAC5-[4-(2,5-dimethylanilino)quinolin-6-yl]pyridine-2-carbonitrile
SMILESCc1ccc(C)c(Nc2ccnc3ccc(-c4ccc(C#N)nc4)cc23)c1
InChIInChI=1S/C23H18N4/c1-15-3-4-16(2)23(11-15)27-22-9-10-25-21-8-6-17(12-20(21)22)18-5-7-19(13-24)26-14-18/h3-12,14H,1-2H3,(H,25,27)
InChIKeyZLTNIVIPRNLONZ-UHFFFAOYSA-N
MW350.43 g/mol
LogP5.53
Rot. Bonds3

About 5-[4-(2,5-dimethylanilino)quinolin-6-yl]pyridine-2-carbonitrile

5-[4-(2,5-dimethylanilino)quinolin-6-yl]pyridine-2-carbonitrile (PubChem CID 162647235) has the molecular formula C23H18N4 and a molecular weight of 350.43 g/mol. Its IUPAC name is 5-[4-(2,5-dimethylanilino)quinolin-6-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(2,5-dimethylanilino)quinolin-6-yl]pyridine-2-carbonitrile
PubChem CID162647235
Molecular FormulaC23H18N4
Molecular Weight350.43 g/mol
Exact Mass350.15
IUPAC Name5-[4-(2,5-dimethylanilino)quinolin-6-yl]pyridine-2-carbonitrile
SMILESCc1ccc(C)c(Nc2ccnc3ccc(-c4ccc(C#N)nc4)cc23)c1
InChIInChI=1S/C23H18N4/c1-15-3-4-16(2)23(11-15)27-22-9-10-25-21-8-6-17(12-20(21)22)18-5-7-19(13-24)26-14-18/h3-12,14H,1-2H3,(H,25,27)
InChIKeyZLTNIVIPRNLONZ-UHFFFAOYSA-N
XLogP5.53
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.43
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-(2,5-dimethylanilino)quinolin-6-yl]pyridine-2-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 5-[4-(2,5-dimethylanilino)quinolin-6-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-(2,5-dimethylanilino)quinolin-6-yl]pyridine-2-carbonitrile (CID 162647235) is 5-[4-(2,5-dimethylanilino)quinolin-6-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-(2,5-dimethylanilino)quinolin-6-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-(2,5-dimethylanilino)quinolin-6-yl]pyridine-2-carbonitrile is Cc1ccc(C)c(Nc2ccnc3ccc(-c4ccc(C#N)nc4)cc23)c1.
What is the InChIKey of 5-[4-(2,5-dimethylanilino)quinolin-6-yl]pyridine-2-carbonitrile?
The InChIKey is ZLTNIVIPRNLONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4/c1-15-3-4-16(2)23(11-15)27-22-9-10-25-21-8-6-17(12-20(21)22)18-5-7-19(13-24)26-14-18/h3-12,14H,1-2H3,(H,25,27).
What are the key properties of 5-[4-(2,5-dimethylanilino)quinolin-6-yl]pyridine-2-carbonitrile?
5-[4-(2,5-dimethylanilino)quinolin-6-yl]pyridine-2-carbonitrile has a molecular weight of 350.43 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,5-dimethylanilino)quinolin-6-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 162647235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).