2-[[1-(7-chloro-8-methylquinolin-2-yl)piperidin-4-yl]-methylamino]ethanol

C18H24ClN3O — CID 133437520

IUPAC2-[[1-(7-chloro-8-methylquinolin-2-yl)piperidin-4-yl]-methylamino]ethanol
SMILESCc1c(Cl)ccc2ccc(N3CCC(N(C)CCO)CC3)nc12
InChIInChI=1S/C18H24ClN3O/c1-13-16(19)5-3-14-4-6-17(20-18(13)14)22-9-7-15(8-10-22)21(2)11-12-23/h3-6,15,23H,7-12H2,1-2H3
InChIKeyDXISRIWIBZMXBQ-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.09
Rot. Bonds4

About 2-[[1-(7-chloro-8-methylquinolin-2-yl)piperidin-4-yl]-methylamino]ethanol

2-[[1-(7-chloro-8-methylquinolin-2-yl)piperidin-4-yl]-methylamino]ethanol (PubChem CID 133437520) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 2-[[1-(7-chloro-8-methylquinolin-2-yl)piperidin-4-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[1-(7-chloro-8-methylquinolin-2-yl)piperidin-4-yl]-methylamino]ethanol
PubChem CID133437520
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name2-[[1-(7-chloro-8-methylquinolin-2-yl)piperidin-4-yl]-methylamino]ethanol
SMILESCc1c(Cl)ccc2ccc(N3CCC(N(C)CCO)CC3)nc12
InChIInChI=1S/C18H24ClN3O/c1-13-16(19)5-3-14-4-6-17(20-18(13)14)22-9-7-15(8-10-22)21(2)11-12-23/h3-6,15,23H,7-12H2,1-2H3
InChIKeyDXISRIWIBZMXBQ-UHFFFAOYSA-N
XLogP3.09
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(7-chloro-8-methylquinolin-2-yl)piperidin-4-yl]-methylamino]ethanol with MolForge

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Related Compounds

(3S)-1-(7-chloro-8-methylquinolin-2-yl)piperidin-3-ol
CID 97258754
5-[1-(7-chloro-8-methylquinolin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 128563921
(2S)-4-(7-chloro-8-methylquinolin-2-yl)morpholine-2-carboxamide
CID 97258760
2-[[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethanol
CID 133437535
3-chloro-2-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]benzonitrile
CID 133436824
2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid
CID 67137067
2-[2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethoxy]ethanol
CID 111543569
3-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]propan-1-ol
CID 133315366
2-[cyclopropyl(methyl)amino]ethanol;hydrochloride
CID 69009010
1-[6-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63168925
2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol
CID 82691588
6-(7-chloro-8-methylquinolin-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid
CID 167978033

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(7-chloro-8-methylquinolin-2-yl)piperidin-4-yl]-methylamino]ethanol?
The IUPAC name of 2-[[1-(7-chloro-8-methylquinolin-2-yl)piperidin-4-yl]-methylamino]ethanol (CID 133437520) is 2-[[1-(7-chloro-8-methylquinolin-2-yl)piperidin-4-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[1-(7-chloro-8-methylquinolin-2-yl)piperidin-4-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[1-(7-chloro-8-methylquinolin-2-yl)piperidin-4-yl]-methylamino]ethanol is Cc1c(Cl)ccc2ccc(N3CCC(N(C)CCO)CC3)nc12.
What is the InChIKey of 2-[[1-(7-chloro-8-methylquinolin-2-yl)piperidin-4-yl]-methylamino]ethanol?
The InChIKey is DXISRIWIBZMXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c1-13-16(19)5-3-14-4-6-17(20-18(13)14)22-9-7-15(8-10-22)21(2)11-12-23/h3-6,15,23H,7-12H2,1-2H3.
What are the key properties of 2-[[1-(7-chloro-8-methylquinolin-2-yl)piperidin-4-yl]-methylamino]ethanol?
2-[[1-(7-chloro-8-methylquinolin-2-yl)piperidin-4-yl]-methylamino]ethanol has a molecular weight of 333.86 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(7-chloro-8-methylquinolin-2-yl)piperidin-4-yl]-methylamino]ethanol is sourced from PubChem (CID 133437520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).