2-(2-chloroquinolin-6-yl)propan-2-ol

C12H12ClNO — CID 164550082

IUPAC2-(2-chloroquinolin-6-yl)propan-2-ol
SMILESCC(C)(O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C12H12ClNO/c1-12(2,15)9-4-5-10-8(7-9)3-6-11(13)14-10/h3-7,15H,1-2H3
InChIKeyIBJKABQUHXHTMM-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.12
Rot. Bonds1

About 2-(2-chloroquinolin-6-yl)propan-2-ol

2-(2-chloroquinolin-6-yl)propan-2-ol (PubChem CID 164550082) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-(2-chloroquinolin-6-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2-chloroquinolin-6-yl)propan-2-ol
PubChem CID164550082
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name2-(2-chloroquinolin-6-yl)propan-2-ol
SMILESCC(C)(O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C12H12ClNO/c1-12(2,15)9-4-5-10-8(7-9)3-6-11(13)14-10/h3-7,15H,1-2H3
InChIKeyIBJKABQUHXHTMM-UHFFFAOYSA-N
XLogP3.12
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.12
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-chloroquinolin-6-yl)propan-2-ol?
The IUPAC name of 2-(2-chloroquinolin-6-yl)propan-2-ol (CID 164550082) is 2-(2-chloroquinolin-6-yl)propan-2-ol.
What is the SMILES notation for 2-(2-chloroquinolin-6-yl)propan-2-ol?
The canonical SMILES for 2-(2-chloroquinolin-6-yl)propan-2-ol is CC(C)(O)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-(2-chloroquinolin-6-yl)propan-2-ol?
The InChIKey is IBJKABQUHXHTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c1-12(2,15)9-4-5-10-8(7-9)3-6-11(13)14-10/h3-7,15H,1-2H3.
What are the key properties of 2-(2-chloroquinolin-6-yl)propan-2-ol?
2-(2-chloroquinolin-6-yl)propan-2-ol has a molecular weight of 221.69 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroquinolin-6-yl)propan-2-ol is sourced from PubChem (CID 164550082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).