1-[[[2-(hydroxymethyl)quinolin-4-yl]-methylamino]methyl]cyclopentan-1-ol

C17H22N2O2 — CID 114952352

IUPAC1-[[[2-(hydroxymethyl)quinolin-4-yl]-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1cc(CO)nc2ccccc12
InChIInChI=1S/C17H22N2O2/c1-19(12-17(21)8-4-5-9-17)16-10-13(11-20)18-15-7-3-2-6-14(15)16/h2-3,6-7,10,20-21H,4-5,8-9,11-12H2,1H3
InChIKeyQXRDSEKCJLYUOL-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.47
Rot. Bonds4

About 1-[[[2-(hydroxymethyl)quinolin-4-yl]-methylamino]methyl]cyclopentan-1-ol

1-[[[2-(hydroxymethyl)quinolin-4-yl]-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114952352) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[[[2-(hydroxymethyl)quinolin-4-yl]-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[2-(hydroxymethyl)quinolin-4-yl]-methylamino]methyl]cyclopentan-1-ol
PubChem CID114952352
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[[[2-(hydroxymethyl)quinolin-4-yl]-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1cc(CO)nc2ccccc12
InChIInChI=1S/C17H22N2O2/c1-19(12-17(21)8-4-5-9-17)16-10-13(11-20)18-15-7-3-2-6-14(15)16/h2-3,6-7,10,20-21H,4-5,8-9,11-12H2,1H3
InChIKeyQXRDSEKCJLYUOL-UHFFFAOYSA-N
XLogP2.47
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[[2-(hydroxymethyl)quinolin-4-yl]-methylamino]methyl]cyclopentan-1-ol 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

[4-[cyclohexylmethyl(methyl)amino]quinolin-2-yl]methanol
CID 63375839
[4-[2-methoxyethyl(methyl)amino]quinolin-2-yl]methanol
CID 63376401
[4-[3-methoxypropyl(methyl)amino]quinolin-2-yl]methanol
CID 63375970
[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]quinolin-2-yl]methanol
CID 79311164
[4-[3,3-dimethylbutan-2-yl(methyl)amino]quinolin-2-yl]methanol
CID 63376235
[4-[furan-3-ylmethyl(methyl)amino]quinolin-2-yl]methanol
CID 63376321
[4-(N,4-dimethylanilino)quinolin-2-yl]methanol
CID 63375751
[4-(N-ethylanilino)quinolin-2-yl]methanol
CID 63376096
[4-[butyl(cyclopropyl)amino]quinolin-2-yl]methanol
CID 63375838
1-[[methyl(quinolin-2-ylmethyl)amino]methyl]cyclopentan-1-ol
CID 115758417
[4-[propan-2-yl(propyl)amino]quinolin-2-yl]methanol
CID 63376398
4-[[methyl-(3-methylquinolin-2-yl)amino]methyl]oxan-4-ol
CID 114952231

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(hydroxymethyl)quinolin-4-yl]-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[2-(hydroxymethyl)quinolin-4-yl]-methylamino]methyl]cyclopentan-1-ol (CID 114952352) is 1-[[[2-(hydroxymethyl)quinolin-4-yl]-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[2-(hydroxymethyl)quinolin-4-yl]-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[2-(hydroxymethyl)quinolin-4-yl]-methylamino]methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)c1cc(CO)nc2ccccc12.
What is the InChIKey of 1-[[[2-(hydroxymethyl)quinolin-4-yl]-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is QXRDSEKCJLYUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19(12-17(21)8-4-5-9-17)16-10-13(11-20)18-15-7-3-2-6-14(15)16/h2-3,6-7,10,20-21H,4-5,8-9,11-12H2,1H3.
What are the key properties of 1-[[[2-(hydroxymethyl)quinolin-4-yl]-methylamino]methyl]cyclopentan-1-ol?
1-[[[2-(hydroxymethyl)quinolin-4-yl]-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 286.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(hydroxymethyl)quinolin-4-yl]-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114952352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).