2-[(7-chloroquinolin-4-yl)amino]ethanol

C11H11ClN2O — CID 4650466

IUPAC2-[(7-chloroquinolin-4-yl)amino]ethanol
SMILESOCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C11H11ClN2O/c12-8-1-2-9-10(14-5-6-15)3-4-13-11(9)7-8/h1-4,7,15H,5-6H2,(H,13,14)
InChIKeyRSYOSUMAMNFKSM-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.29
Rot. Bonds3

About 2-[(7-chloroquinolin-4-yl)amino]ethanol

2-[(7-chloroquinolin-4-yl)amino]ethanol (PubChem CID 4650466) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-[(7-chloroquinolin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(7-chloroquinolin-4-yl)amino]ethanol
PubChem CID4650466
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name2-[(7-chloroquinolin-4-yl)amino]ethanol
SMILESOCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C11H11ClN2O/c12-8-1-2-9-10(14-5-6-15)3-4-13-11(9)7-8/h1-4,7,15H,5-6H2,(H,13,14)
InChIKeyRSYOSUMAMNFKSM-UHFFFAOYSA-N
XLogP2.29
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(7-chloroquinolin-4-yl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloroquinolin-4-yl)amino]ethanol?
The IUPAC name of 2-[(7-chloroquinolin-4-yl)amino]ethanol (CID 4650466) is 2-[(7-chloroquinolin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(7-chloroquinolin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(7-chloroquinolin-4-yl)amino]ethanol is OCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 2-[(7-chloroquinolin-4-yl)amino]ethanol?
The InChIKey is RSYOSUMAMNFKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-8-1-2-9-10(14-5-6-15)3-4-13-11(9)7-8/h1-4,7,15H,5-6H2,(H,13,14).
What are the key properties of 2-[(7-chloroquinolin-4-yl)amino]ethanol?
2-[(7-chloroquinolin-4-yl)amino]ethanol has a molecular weight of 222.68 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloroquinolin-4-yl)amino]ethanol is sourced from PubChem (CID 4650466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).