2-[(6-chloroquinolin-4-yl)-ethylamino]ethanol

C13H15ClN2O — CID 110434356

IUPAC2-[(6-chloroquinolin-4-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1ccnc2ccc(Cl)cc12
InChIInChI=1S/C13H15ClN2O/c1-2-16(7-8-17)13-5-6-15-12-4-3-10(14)9-11(12)13/h3-6,9,17H,2,7-8H2,1H3
InChIKeyRDBIZKIQTXCUKJ-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.71
Rot. Bonds4

About 2-[(6-chloroquinolin-4-yl)-ethylamino]ethanol

2-[(6-chloroquinolin-4-yl)-ethylamino]ethanol (PubChem CID 110434356) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-[(6-chloroquinolin-4-yl)-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(6-chloroquinolin-4-yl)-ethylamino]ethanol
PubChem CID110434356
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-[(6-chloroquinolin-4-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1ccnc2ccc(Cl)cc12
InChIInChI=1S/C13H15ClN2O/c1-2-16(7-8-17)13-5-6-15-12-4-3-10(14)9-11(12)13/h3-6,9,17H,2,7-8H2,1H3
InChIKeyRDBIZKIQTXCUKJ-UHFFFAOYSA-N
XLogP2.71
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(7-chloroquinolin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484431
2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
CID 60631611
N-[3-[(6-chloroquinolin-4-yl)-methylamino]propyl]acetamide
CID 133303992
N'-ethyl-N'-quinolin-4-ylethane-1,2-diamine
CID 63765878
2-[(3-chloro-4-pyridinyl)-ethylamino]ethanol
CID 79770158
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
N-(7-chloroquinolin-4-yl)-N-[2-(diethylamino)ethyl]propanamide
CID 20753586
N'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine
CID 66921220
5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol
CID 107203509
6-chloro-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine
CID 133463510
2-(2-chloro-N-ethylanilino)ethanol
CID 70558139
2-[(6-chloroquinolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 133339048

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroquinolin-4-yl)-ethylamino]ethanol?
The IUPAC name of 2-[(6-chloroquinolin-4-yl)-ethylamino]ethanol (CID 110434356) is 2-[(6-chloroquinolin-4-yl)-ethylamino]ethanol.
What is the SMILES notation for 2-[(6-chloroquinolin-4-yl)-ethylamino]ethanol?
The canonical SMILES for 2-[(6-chloroquinolin-4-yl)-ethylamino]ethanol is CCN(CCO)c1ccnc2ccc(Cl)cc12.
What is the InChIKey of 2-[(6-chloroquinolin-4-yl)-ethylamino]ethanol?
The InChIKey is RDBIZKIQTXCUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-2-16(7-8-17)13-5-6-15-12-4-3-10(14)9-11(12)13/h3-6,9,17H,2,7-8H2,1H3.
What are the key properties of 2-[(6-chloroquinolin-4-yl)-ethylamino]ethanol?
2-[(6-chloroquinolin-4-yl)-ethylamino]ethanol has a molecular weight of 250.73 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloroquinolin-4-yl)-ethylamino]ethanol is sourced from PubChem (CID 110434356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).