6-(5-hydroxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile

C23H18N4O — CID 164556546

IUPAC6-(5-hydroxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile
SMILESCC(Nc1c(C#N)cnc2ccc(-c3cncc(O)c3)cc12)c1ccccc1
InChIInChI=1S/C23H18N4O/c1-15(16-5-3-2-4-6-16)27-23-19(11-24)13-26-22-8-7-17(10-21(22)23)18-9-20(28)14-25-12-18/h2-10,12-15,28H,1H3,(H,26,27)
InChIKeyREULUFCXRFJHKV-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.05
Rot. Bonds4

About 6-(5-hydroxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile

6-(5-hydroxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile (PubChem CID 164556546) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 6-(5-hydroxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-(5-hydroxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile
PubChem CID164556546
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name6-(5-hydroxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile
SMILESCC(Nc1c(C#N)cnc2ccc(-c3cncc(O)c3)cc12)c1ccccc1
InChIInChI=1S/C23H18N4O/c1-15(16-5-3-2-4-6-16)27-23-19(11-24)13-26-22-8-7-17(10-21(22)23)18-9-20(28)14-25-12-18/h2-10,12-15,28H,1H3,(H,26,27)
InChIKeyREULUFCXRFJHKV-UHFFFAOYSA-N
XLogP5.05
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(5-hydroxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-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 6-(5-hydroxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile?
The IUPAC name of 6-(5-hydroxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile (CID 164556546) is 6-(5-hydroxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-(5-hydroxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile?
The canonical SMILES for 6-(5-hydroxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile is CC(Nc1c(C#N)cnc2ccc(-c3cncc(O)c3)cc12)c1ccccc1.
What is the InChIKey of 6-(5-hydroxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile?
The InChIKey is REULUFCXRFJHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-15(16-5-3-2-4-6-16)27-23-19(11-24)13-26-22-8-7-17(10-21(22)23)18-9-20(28)14-25-12-18/h2-10,12-15,28H,1H3,(H,26,27).
What are the key properties of 6-(5-hydroxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile?
6-(5-hydroxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile has a molecular weight of 366.42 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-hydroxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 164556546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).