[4-(2,4-dichloro-3-phenylquinolin-6-yl)-2-(4-fluorophenyl)-3-pyridinyl]methanol

C27H17Cl2FN2O — CID 90100293

IUPAC[4-(2,4-dichloro-3-phenylquinolin-6-yl)-2-(4-fluorophenyl)-3-pyridinyl]methanol
SMILESOCc1c(-c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)ccnc1-c1ccc(F)cc1
InChIInChI=1S/C27H17Cl2FN2O/c28-25-21-14-18(8-11-23(21)32-27(29)24(25)16-4-2-1-3-5-16)20-12-13-31-26(22(20)15-33)17-6-9-19(30)10-7-17/h1-14,33H,15H2
InChIKeyHZWBQCVMYICRFW-UHFFFAOYSA-N
MW475.35 g/mol
LogP7.57
Rot. Bonds4

About [4-(2,4-dichloro-3-phenylquinolin-6-yl)-2-(4-fluorophenyl)-3-pyridinyl]methanol

[4-(2,4-dichloro-3-phenylquinolin-6-yl)-2-(4-fluorophenyl)-3-pyridinyl]methanol (PubChem CID 90100293) has the molecular formula C27H17Cl2FN2O and a molecular weight of 475.35 g/mol. Its IUPAC name is [4-(2,4-dichloro-3-phenylquinolin-6-yl)-2-(4-fluorophenyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(2,4-dichloro-3-phenylquinolin-6-yl)-2-(4-fluorophenyl)-3-pyridinyl]methanol
PubChem CID90100293
Molecular FormulaC27H17Cl2FN2O
Molecular Weight475.35 g/mol
Exact Mass474.07
IUPAC Name[4-(2,4-dichloro-3-phenylquinolin-6-yl)-2-(4-fluorophenyl)-3-pyridinyl]methanol
SMILESOCc1c(-c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)ccnc1-c1ccc(F)cc1
InChIInChI=1S/C27H17Cl2FN2O/c28-25-21-14-18(8-11-23(21)32-27(29)24(25)16-4-2-1-3-5-16)20-12-13-31-26(22(20)15-33)17-6-9-19(30)10-7-17/h1-14,33H,15H2
InChIKeyHZWBQCVMYICRFW-UHFFFAOYSA-N
XLogP7.57
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.35
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [4-(2,4-dichloro-3-phenylquinolin-6-yl)-2-(4-fluorophenyl)-3-pyridinyl]methanol 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-(2,4-dichloro-3-phenylquinolin-6-yl)-2-(4-fluorophenyl)-3-pyridinyl]methanol?
The IUPAC name of [4-(2,4-dichloro-3-phenylquinolin-6-yl)-2-(4-fluorophenyl)-3-pyridinyl]methanol (CID 90100293) is [4-(2,4-dichloro-3-phenylquinolin-6-yl)-2-(4-fluorophenyl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(2,4-dichloro-3-phenylquinolin-6-yl)-2-(4-fluorophenyl)-3-pyridinyl]methanol?
The canonical SMILES for [4-(2,4-dichloro-3-phenylquinolin-6-yl)-2-(4-fluorophenyl)-3-pyridinyl]methanol is OCc1c(-c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)ccnc1-c1ccc(F)cc1.
What is the InChIKey of [4-(2,4-dichloro-3-phenylquinolin-6-yl)-2-(4-fluorophenyl)-3-pyridinyl]methanol?
The InChIKey is HZWBQCVMYICRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17Cl2FN2O/c28-25-21-14-18(8-11-23(21)32-27(29)24(25)16-4-2-1-3-5-16)20-12-13-31-26(22(20)15-33)17-6-9-19(30)10-7-17/h1-14,33H,15H2.
What are the key properties of [4-(2,4-dichloro-3-phenylquinolin-6-yl)-2-(4-fluorophenyl)-3-pyridinyl]methanol?
[4-(2,4-dichloro-3-phenylquinolin-6-yl)-2-(4-fluorophenyl)-3-pyridinyl]methanol has a molecular weight of 475.35 g/mol, XLogP of 7.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dichloro-3-phenylquinolin-6-yl)-2-(4-fluorophenyl)-3-pyridinyl]methanol is sourced from PubChem (CID 90100293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).