[1-[[(8-chloroquinolin-2-yl)amino]methyl]cyclopentyl]methanol

C16H19ClN2O — CID 122572355

IUPAC[1-[[(8-chloroquinolin-2-yl)amino]methyl]cyclopentyl]methanol
SMILESOCC1(CNc2ccc3cccc(Cl)c3n2)CCCC1
InChIInChI=1S/C16H19ClN2O/c17-13-5-3-4-12-6-7-14(19-15(12)13)18-10-16(11-20)8-1-2-9-16/h3-7,20H,1-2,8-11H2,(H,18,19)
InChIKeyILTAZURUIUBSEN-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.85
Rot. Bonds4

About [1-[[(8-chloroquinolin-2-yl)amino]methyl]cyclopentyl]methanol

[1-[[(8-chloroquinolin-2-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 122572355) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is [1-[[(8-chloroquinolin-2-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(8-chloroquinolin-2-yl)amino]methyl]cyclopentyl]methanol
PubChem CID122572355
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name[1-[[(8-chloroquinolin-2-yl)amino]methyl]cyclopentyl]methanol
SMILESOCC1(CNc2ccc3cccc(Cl)c3n2)CCCC1
InChIInChI=1S/C16H19ClN2O/c17-13-5-3-4-12-6-7-14(19-15(12)13)18-10-16(11-20)8-1-2-9-16/h3-7,20H,1-2,8-11H2,(H,18,19)
InChIKeyILTAZURUIUBSEN-UHFFFAOYSA-N
XLogP3.85
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293557
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol
CID 103965941
[1-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115366395
N-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-2-amine
CID 113294666
2-chloro-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzonitrile
CID 115360414
2-chloro-6-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzonitrile
CID 103966844
[1-[[(6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115361870
1-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]cyclobutan-1-ol
CID 133437290
2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide
CID 115755568
[1-[[(3-chloro-4-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 112697538
[1-[[(3-bromoquinolin-8-yl)amino]methyl]cyclohexyl]methanol
CID 116783182
(1R,2S,3R,4R,5S)-5-[[(8-chloroquinolin-2-yl)amino]methyl]bicyclo[2.2.1]heptane-2,3-diol
CID 166292208

Frequently Asked Questions

What is the IUPAC name of [1-[[(8-chloroquinolin-2-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(8-chloroquinolin-2-yl)amino]methyl]cyclopentyl]methanol (CID 122572355) is [1-[[(8-chloroquinolin-2-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(8-chloroquinolin-2-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(8-chloroquinolin-2-yl)amino]methyl]cyclopentyl]methanol is OCC1(CNc2ccc3cccc(Cl)c3n2)CCCC1.
What is the InChIKey of [1-[[(8-chloroquinolin-2-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is ILTAZURUIUBSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-13-5-3-4-12-6-7-14(19-15(12)13)18-10-16(11-20)8-1-2-9-16/h3-7,20H,1-2,8-11H2,(H,18,19).
What are the key properties of [1-[[(8-chloroquinolin-2-yl)amino]methyl]cyclopentyl]methanol?
[1-[[(8-chloroquinolin-2-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 290.79 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(8-chloroquinolin-2-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 122572355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).