1-(7-chloroquinolin-4-yl)-2-(diethylamino)ethanol

C15H19ClN2O — CID 90669152

IUPAC1-(7-chloroquinolin-4-yl)-2-(diethylamino)ethanol
SMILESCCN(CC)CC(O)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H19ClN2O/c1-3-18(4-2)10-15(19)13-7-8-17-14-9-11(16)5-6-12(13)14/h5-9,15,19H,3-4,10H2,1-2H3
InChIKeyCCGHFCRTBVFRPQ-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.26
Rot. Bonds5

About 1-(7-chloroquinolin-4-yl)-2-(diethylamino)ethanol

1-(7-chloroquinolin-4-yl)-2-(diethylamino)ethanol (PubChem CID 90669152) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 1-(7-chloroquinolin-4-yl)-2-(diethylamino)ethanol.

Molecular Properties

Compound Name1-(7-chloroquinolin-4-yl)-2-(diethylamino)ethanol
PubChem CID90669152
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name1-(7-chloroquinolin-4-yl)-2-(diethylamino)ethanol
SMILESCCN(CC)CC(O)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H19ClN2O/c1-3-18(4-2)10-15(19)13-7-8-17-14-9-11(16)5-6-12(13)14/h5-9,15,19H,3-4,10H2,1-2H3
InChIKeyCCGHFCRTBVFRPQ-UHFFFAOYSA-N
XLogP3.26
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(7-chloroquinolin-4-yl)-2-(diethylamino)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

CID 11630759
CID 11630759
CID 101711
CID 101711
CID 6914728
CID 6914728
CID 224644
CID 224644
CID 80479
CID 80479
CID 90453
CID 90453
CID 97719
CID 97719
CID 315014
CID 315014
CID 4162665
CID 4162665
CID 24185504
CID 24185504
CID 24200355
CID 24200355
CID 407550
CID 407550

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloroquinolin-4-yl)-2-(diethylamino)ethanol?
The IUPAC name of 1-(7-chloroquinolin-4-yl)-2-(diethylamino)ethanol (CID 90669152) is 1-(7-chloroquinolin-4-yl)-2-(diethylamino)ethanol.
What is the SMILES notation for 1-(7-chloroquinolin-4-yl)-2-(diethylamino)ethanol?
The canonical SMILES for 1-(7-chloroquinolin-4-yl)-2-(diethylamino)ethanol is CCN(CC)CC(O)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 1-(7-chloroquinolin-4-yl)-2-(diethylamino)ethanol?
The InChIKey is CCGHFCRTBVFRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-3-18(4-2)10-15(19)13-7-8-17-14-9-11(16)5-6-12(13)14/h5-9,15,19H,3-4,10H2,1-2H3.
What are the key properties of 1-(7-chloroquinolin-4-yl)-2-(diethylamino)ethanol?
1-(7-chloroquinolin-4-yl)-2-(diethylamino)ethanol has a molecular weight of 278.78 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloroquinolin-4-yl)-2-(diethylamino)ethanol is sourced from PubChem (CID 90669152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).