2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethanol

C17H12Cl3NO — CID 53319662

IUPAC2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethanol
SMILESOCCc1c(Cl)nc2ccc(Cl)cc2c1-c1ccccc1Cl
InChIInChI=1S/C17H12Cl3NO/c18-10-5-6-15-13(9-10)16(11-3-1-2-4-14(11)19)12(7-8-22)17(20)21-15/h1-6,9,22H,7-8H2
InChIKeyFOPTYXHKRBXEBI-UHFFFAOYSA-N
MW352.65 g/mol
LogP5.40
Rot. Bonds3

About 2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethanol

2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethanol (PubChem CID 53319662) has the molecular formula C17H12Cl3NO and a molecular weight of 352.65 g/mol. Its IUPAC name is 2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethanol.

Molecular Properties

Compound Name2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethanol
PubChem CID53319662
Molecular FormulaC17H12Cl3NO
Molecular Weight352.65 g/mol
Exact Mass351.00
IUPAC Name2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethanol
SMILESOCCc1c(Cl)nc2ccc(Cl)cc2c1-c1ccccc1Cl
InChIInChI=1S/C17H12Cl3NO/c18-10-5-6-15-13(9-10)16(11-3-1-2-4-14(11)19)12(7-8-22)17(20)21-15/h1-6,9,22H,7-8H2
InChIKeyFOPTYXHKRBXEBI-UHFFFAOYSA-N
XLogP5.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.65
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethanol?
The IUPAC name of 2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethanol (CID 53319662) is 2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethanol.
What is the SMILES notation for 2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethanol?
The canonical SMILES for 2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethanol is OCCc1c(Cl)nc2ccc(Cl)cc2c1-c1ccccc1Cl.
What is the InChIKey of 2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethanol?
The InChIKey is FOPTYXHKRBXEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3NO/c18-10-5-6-15-13(9-10)16(11-3-1-2-4-14(11)19)12(7-8-22)17(20)21-15/h1-6,9,22H,7-8H2.
What are the key properties of 2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethanol?
2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethanol has a molecular weight of 352.65 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-4-(2-chlorophenyl)quinolin-3-yl]ethanol is sourced from PubChem (CID 53319662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).