2-(2-chloroquinolin-3-yl)-3-methylbutan-1-ol

C14H16ClNO — CID 116985269

IUPAC2-(2-chloroquinolin-3-yl)-3-methylbutan-1-ol
SMILESCC(C)C(CO)c1cc2ccccc2nc1Cl
InChIInChI=1S/C14H16ClNO/c1-9(2)12(8-17)11-7-10-5-3-4-6-13(10)16-14(11)15/h3-7,9,12,17H,8H2,1-2H3
InChIKeyXNXJZUXSQZWSKC-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.62
Rot. Bonds3

About 2-(2-chloroquinolin-3-yl)-3-methylbutan-1-ol

2-(2-chloroquinolin-3-yl)-3-methylbutan-1-ol (PubChem CID 116985269) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 2-(2-chloroquinolin-3-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(2-chloroquinolin-3-yl)-3-methylbutan-1-ol
PubChem CID116985269
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name2-(2-chloroquinolin-3-yl)-3-methylbutan-1-ol
SMILESCC(C)C(CO)c1cc2ccccc2nc1Cl
InChIInChI=1S/C14H16ClNO/c1-9(2)12(8-17)11-7-10-5-3-4-6-13(10)16-14(11)15/h3-7,9,12,17H,8H2,1-2H3
InChIKeyXNXJZUXSQZWSKC-UHFFFAOYSA-N
XLogP3.62
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.62
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-3-yl)-3-methylbutan-1-ol?
The IUPAC name of 2-(2-chloroquinolin-3-yl)-3-methylbutan-1-ol (CID 116985269) is 2-(2-chloroquinolin-3-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(2-chloroquinolin-3-yl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(2-chloroquinolin-3-yl)-3-methylbutan-1-ol is CC(C)C(CO)c1cc2ccccc2nc1Cl.
What is the InChIKey of 2-(2-chloroquinolin-3-yl)-3-methylbutan-1-ol?
The InChIKey is XNXJZUXSQZWSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-9(2)12(8-17)11-7-10-5-3-4-6-13(10)16-14(11)15/h3-7,9,12,17H,8H2,1-2H3.
What are the key properties of 2-(2-chloroquinolin-3-yl)-3-methylbutan-1-ol?
2-(2-chloroquinolin-3-yl)-3-methylbutan-1-ol has a molecular weight of 249.74 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroquinolin-3-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 116985269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).