4-(4-anilinoquinolin-6-yl)phenol

C21H16N2O — CID 122181968

IUPAC4-(4-anilinoquinolin-6-yl)phenol
SMILESOc1ccc(-c2ccc3nccc(Nc4ccccc4)c3c2)cc1
InChIInChI=1S/C21H16N2O/c24-18-9-6-15(7-10-18)16-8-11-20-19(14-16)21(12-13-22-20)23-17-4-2-1-3-5-17/h1-14,24H,(H,22,23)
InChIKeyPPIOYQQBPGGHJC-UHFFFAOYSA-N
MW312.37 g/mol
LogP5.35
Rot. Bonds3

About 4-(4-anilinoquinolin-6-yl)phenol

4-(4-anilinoquinolin-6-yl)phenol (PubChem CID 122181968) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-(4-anilinoquinolin-6-yl)phenol.

Molecular Properties

Compound Name4-(4-anilinoquinolin-6-yl)phenol
PubChem CID122181968
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name4-(4-anilinoquinolin-6-yl)phenol
SMILESOc1ccc(-c2ccc3nccc(Nc4ccccc4)c3c2)cc1
InChIInChI=1S/C21H16N2O/c24-18-9-6-15(7-10-18)16-8-11-20-19(14-16)21(12-13-22-20)23-17-4-2-1-3-5-17/h1-14,24H,(H,22,23)
InChIKeyPPIOYQQBPGGHJC-UHFFFAOYSA-N
XLogP5.35
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-anilinoquinolin-6-yl)phenol 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 4-(4-anilinoquinolin-6-yl)phenol?
The IUPAC name of 4-(4-anilinoquinolin-6-yl)phenol (CID 122181968) is 4-(4-anilinoquinolin-6-yl)phenol.
What is the SMILES notation for 4-(4-anilinoquinolin-6-yl)phenol?
The canonical SMILES for 4-(4-anilinoquinolin-6-yl)phenol is Oc1ccc(-c2ccc3nccc(Nc4ccccc4)c3c2)cc1.
What is the InChIKey of 4-(4-anilinoquinolin-6-yl)phenol?
The InChIKey is PPIOYQQBPGGHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c24-18-9-6-15(7-10-18)16-8-11-20-19(14-16)21(12-13-22-20)23-17-4-2-1-3-5-17/h1-14,24H,(H,22,23).
What are the key properties of 4-(4-anilinoquinolin-6-yl)phenol?
4-(4-anilinoquinolin-6-yl)phenol has a molecular weight of 312.37 g/mol, XLogP of 5.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-anilinoquinolin-6-yl)phenol is sourced from PubChem (CID 122181968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).