1-(2-chloroquinolin-4-yl)-2-(dibutylamino)ethanol

C19H27ClN2O — CID 90669201

IUPAC1-(2-chloroquinolin-4-yl)-2-(dibutylamino)ethanol
SMILESCCCCN(CCCC)CC(O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C19H27ClN2O/c1-3-5-11-22(12-6-4-2)14-18(23)16-13-19(20)21-17-10-8-7-9-15(16)17/h7-10,13,18,23H,3-6,11-12,14H2,1-2H3
InChIKeyUUVGIWJWKKKWIB-UHFFFAOYSA-N
MW334.89 g/mol
LogP4.82
Rot. Bonds9

About 1-(2-chloroquinolin-4-yl)-2-(dibutylamino)ethanol

1-(2-chloroquinolin-4-yl)-2-(dibutylamino)ethanol (PubChem CID 90669201) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is 1-(2-chloroquinolin-4-yl)-2-(dibutylamino)ethanol.

Molecular Properties

Compound Name1-(2-chloroquinolin-4-yl)-2-(dibutylamino)ethanol
PubChem CID90669201
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name1-(2-chloroquinolin-4-yl)-2-(dibutylamino)ethanol
SMILESCCCCN(CCCC)CC(O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C19H27ClN2O/c1-3-5-11-22(12-6-4-2)14-18(23)16-13-19(20)21-17-10-8-7-9-15(16)17/h7-10,13,18,23H,3-6,11-12,14H2,1-2H3
InChIKeyUUVGIWJWKKKWIB-UHFFFAOYSA-N
XLogP4.82
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(2-chloroquinolin-4-yl)-2-(dibutylamino)ethanol?
The IUPAC name of 1-(2-chloroquinolin-4-yl)-2-(dibutylamino)ethanol (CID 90669201) is 1-(2-chloroquinolin-4-yl)-2-(dibutylamino)ethanol.
What is the SMILES notation for 1-(2-chloroquinolin-4-yl)-2-(dibutylamino)ethanol?
The canonical SMILES for 1-(2-chloroquinolin-4-yl)-2-(dibutylamino)ethanol is CCCCN(CCCC)CC(O)c1cc(Cl)nc2ccccc12.
What is the InChIKey of 1-(2-chloroquinolin-4-yl)-2-(dibutylamino)ethanol?
The InChIKey is UUVGIWJWKKKWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O/c1-3-5-11-22(12-6-4-2)14-18(23)16-13-19(20)21-17-10-8-7-9-15(16)17/h7-10,13,18,23H,3-6,11-12,14H2,1-2H3.
What are the key properties of 1-(2-chloroquinolin-4-yl)-2-(dibutylamino)ethanol?
1-(2-chloroquinolin-4-yl)-2-(dibutylamino)ethanol has a molecular weight of 334.89 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroquinolin-4-yl)-2-(dibutylamino)ethanol is sourced from PubChem (CID 90669201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).