2-(2-chloroquinolin-3-yl)ethanol

C11H10ClNO — CID 116985217

IUPAC2-(2-chloroquinolin-3-yl)ethanol
SMILESOCCc1cc2ccccc2nc1Cl
InChIInChI=1S/C11H10ClNO/c12-11-9(5-6-14)7-8-3-1-2-4-10(8)13-11/h1-4,7,14H,5-6H2
InChIKeyGXFSFXNUBQWNJD-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.42
Rot. Bonds2

About 2-(2-chloroquinolin-3-yl)ethanol

2-(2-chloroquinolin-3-yl)ethanol (PubChem CID 116985217) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-(2-chloroquinolin-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloroquinolin-3-yl)ethanol
PubChem CID116985217
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name2-(2-chloroquinolin-3-yl)ethanol
SMILESOCCc1cc2ccccc2nc1Cl
InChIInChI=1S/C11H10ClNO/c12-11-9(5-6-14)7-8-3-1-2-4-10(8)13-11/h1-4,7,14H,5-6H2
InChIKeyGXFSFXNUBQWNJD-UHFFFAOYSA-N
XLogP2.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.42
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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Related Compounds

(2-chloroquinolin-3-yl)methanamine
CID 71748539
4-(2-chloroquinolin-3-yl)butanoic acid
CID 116985219
1-(2-chloroquinolin-3-yl)propan-2-one
CID 116985236
3-(2-chloroquinolin-3-yl)-N-methylpropan-1-amine
CID 116985191
2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol
CID 60692441
3-benzyl-2-chloroquinoline
CID 14001237
2-amino-3-(2-chloroquinolin-3-yl)propan-1-ol;hydrochloride
CID 170893249
2-[(2-chloroquinolin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107479153
2-(3-chloroquinoxalin-2-yl)ethanol
CID 166994534
2-chloroquinolin-3-ol
CID 14616631
1-[(2-chloroquinolin-3-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 78964550
2-chloro-N-[(2-chloroquinolin-3-yl)methyl]aniline
CID 71595544

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroquinolin-3-yl)ethanol?
The IUPAC name of 2-(2-chloroquinolin-3-yl)ethanol (CID 116985217) is 2-(2-chloroquinolin-3-yl)ethanol.
What is the SMILES notation for 2-(2-chloroquinolin-3-yl)ethanol?
The canonical SMILES for 2-(2-chloroquinolin-3-yl)ethanol is OCCc1cc2ccccc2nc1Cl.
What is the InChIKey of 2-(2-chloroquinolin-3-yl)ethanol?
The InChIKey is GXFSFXNUBQWNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c12-11-9(5-6-14)7-8-3-1-2-4-10(8)13-11/h1-4,7,14H,5-6H2.
What are the key properties of 2-(2-chloroquinolin-3-yl)ethanol?
2-(2-chloroquinolin-3-yl)ethanol has a molecular weight of 207.66 g/mol, XLogP of 2.42, 2 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)ethanol is sourced from PubChem (CID 116985217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).