2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol

C15H19ClN2O — CID 60692441

IUPAC2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C15H19ClN2O/c1-2-7-18(8-9-19)11-13-10-12-5-3-4-6-14(12)17-15(13)16/h3-6,10,19H,2,7-9,11H2,1H3
InChIKeyXUCXMQPDCKNRGA-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.09
Rot. Bonds6

About 2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol

2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol (PubChem CID 60692441) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol
PubChem CID60692441
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C15H19ClN2O/c1-2-7-18(8-9-19)11-13-10-12-5-3-4-6-14(12)17-15(13)16/h3-6,10,19H,2,7-9,11H2,1H3
InChIKeyXUCXMQPDCKNRGA-UHFFFAOYSA-N
XLogP3.09
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2-chloroquinolin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107479153
2-(2-chloroquinolin-3-yl)ethanol
CID 116985217
2-[(2-chloroquinolin-3-yl)methyl-propylamino]-N-(2-methylphenyl)acetamide
CID 8810094
2-[(2-chloro-3-pyridinyl)methyl-propylamino]ethanol
CID 62470914
N-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-2-methoxyethanamine
CID 61447959
2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol
CID 60691476
2-[(2-chloroquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide
CID 8683083
1-[(2-chloroquinolin-3-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 78964550
N-tert-butyl-2-[(2-chloroquinolin-3-yl)methyl-ethylamino]acetamide
CID 8794209
1-(2-chloroquinolin-3-yl)propan-2-one
CID 116985236
2-[(6-chloro-2-pyridinyl)methyl-propylamino]ethanol
CID 79039725
2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol
CID 102609322

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol (CID 60692441) is 2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol is CCCN(CCO)Cc1cc2ccccc2nc1Cl.
What is the InChIKey of 2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol?
The InChIKey is XUCXMQPDCKNRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-2-7-18(8-9-19)11-13-10-12-5-3-4-6-14(12)17-15(13)16/h3-6,10,19H,2,7-9,11H2,1H3.
What are the key properties of 2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol?
2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol has a molecular weight of 278.78 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol is sourced from PubChem (CID 60692441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).