(2-chloro-3-ethylquinolin-7-yl)methanol

C12H12ClNO — CID 89489622

IUPAC(2-chloro-3-ethylquinolin-7-yl)methanol
SMILESCCc1cc2ccc(CO)cc2nc1Cl
InChIInChI=1S/C12H12ClNO/c1-2-9-6-10-4-3-8(7-15)5-11(10)14-12(9)13/h3-6,15H,2,7H2,1H3
InChIKeyZWIASWQMVMOLHT-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.94
Rot. Bonds2

About (2-chloro-3-ethylquinolin-7-yl)methanol

(2-chloro-3-ethylquinolin-7-yl)methanol (PubChem CID 89489622) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is (2-chloro-3-ethylquinolin-7-yl)methanol.

Molecular Properties

Compound Name(2-chloro-3-ethylquinolin-7-yl)methanol
PubChem CID89489622
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name(2-chloro-3-ethylquinolin-7-yl)methanol
SMILESCCc1cc2ccc(CO)cc2nc1Cl
InChIInChI=1S/C12H12ClNO/c1-2-9-6-10-4-3-8(7-15)5-11(10)14-12(9)13/h3-6,15H,2,7H2,1H3
InChIKeyZWIASWQMVMOLHT-UHFFFAOYSA-N
XLogP2.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.94
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-chloro-3-ethylquinolin-7-yl)methanol?
The IUPAC name of (2-chloro-3-ethylquinolin-7-yl)methanol (CID 89489622) is (2-chloro-3-ethylquinolin-7-yl)methanol.
What is the SMILES notation for (2-chloro-3-ethylquinolin-7-yl)methanol?
The canonical SMILES for (2-chloro-3-ethylquinolin-7-yl)methanol is CCc1cc2ccc(CO)cc2nc1Cl.
What is the InChIKey of (2-chloro-3-ethylquinolin-7-yl)methanol?
The InChIKey is ZWIASWQMVMOLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c1-2-9-6-10-4-3-8(7-15)5-11(10)14-12(9)13/h3-6,15H,2,7H2,1H3.
What are the key properties of (2-chloro-3-ethylquinolin-7-yl)methanol?
(2-chloro-3-ethylquinolin-7-yl)methanol has a molecular weight of 221.69 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-ethylquinolin-7-yl)methanol is sourced from PubChem (CID 89489622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).