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

C12H13ClN2O — CID 60631611

IUPAC2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
SMILESCN(CCO)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C12H13ClN2O/c1-15(6-7-16)12-4-5-14-11-8-9(13)2-3-10(11)12/h2-5,8,16H,6-7H2,1H3
InChIKeyXSQSDZZSCLGBSU-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.32
Rot. Bonds3

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

2-[(7-chloroquinolin-4-yl)-methylamino]ethanol (PubChem CID 60631611) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-[(7-chloroquinolin-4-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
PubChem CID60631611
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
SMILESCN(CCO)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C12H13ClN2O/c1-15(6-7-16)12-4-5-14-11-8-9(13)2-3-10(11)12/h2-5,8,16H,6-7H2,1H3
InChIKeyXSQSDZZSCLGBSU-UHFFFAOYSA-N
XLogP2.32
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol
CID 107203509
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol
CID 55061126
7-chloro-N-[2-(2-chloroethoxy)ethyl]-N-methylquinolin-4-amine
CID 114242626
N'-(7-chloroquinolin-4-yl)-N'-methyl-N-propylethane-1,2-diamine
CID 55090859
2-[(7-chloroquinolin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484431
3-[(7-chloroquinolin-4-yl)-methylamino]-2-methylpropanimidamide
CID 54990454
7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine
CID 79719664
7-chloro-N-methyl-N-pentan-2-ylquinolin-4-amine
CID 175101237
2-[(6-chloroquinolin-4-yl)-ethylamino]ethanol
CID 110434356
N-[3-[(6-chloroquinolin-4-yl)-methylamino]propyl]acetamide
CID 133303992
N-[2-[2-[acetyl-(7-chloroquinolin-4-yl)amino]ethyl-methylamino]ethyl]-N-(7-methylquinolin-4-yl)acetamide
CID 161124941

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloroquinolin-4-yl)-methylamino]ethanol?
The IUPAC name of 2-[(7-chloroquinolin-4-yl)-methylamino]ethanol (CID 60631611) is 2-[(7-chloroquinolin-4-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(7-chloroquinolin-4-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(7-chloroquinolin-4-yl)-methylamino]ethanol is CN(CCO)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 2-[(7-chloroquinolin-4-yl)-methylamino]ethanol?
The InChIKey is XSQSDZZSCLGBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-15(6-7-16)12-4-5-14-11-8-9(13)2-3-10(11)12/h2-5,8,16H,6-7H2,1H3.
What are the key properties of 2-[(7-chloroquinolin-4-yl)-methylamino]ethanol?
2-[(7-chloroquinolin-4-yl)-methylamino]ethanol has a molecular weight of 236.70 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloroquinolin-4-yl)-methylamino]ethanol is sourced from PubChem (CID 60631611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).