3-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol

C16H20N2O — CID 144811689

IUPAC3-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol
SMILESOC(CCN1CCCC1)c1ccc2ncccc2c1
InChIInChI=1S/C16H20N2O/c19-16(7-11-18-9-1-2-10-18)14-5-6-15-13(12-14)4-3-8-17-15/h3-6,8,12,16,19H,1-2,7,9-11H2
InChIKeyPLWQZMFVRNALQT-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.75
Rot. Bonds4

About 3-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol

3-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol (PubChem CID 144811689) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol
PubChem CID144811689
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol
SMILESOC(CCN1CCCC1)c1ccc2ncccc2c1
InChIInChI=1S/C16H20N2O/c19-16(7-11-18-9-1-2-10-18)14-5-6-15-13(12-14)4-3-8-17-15/h3-6,8,12,16,19H,1-2,7,9-11H2
InChIKeyPLWQZMFVRNALQT-UHFFFAOYSA-N
XLogP2.75
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol
CID 64566958
[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium
CID 7016270
4-phenyl-1-quinolin-6-ylbutan-1-ol
CID 63097205
3-pyridin-2-yl-1-quinolin-6-ylpropan-1-ol
CID 105118735
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419
2-cycloheptyl-1-quinolin-6-ylethanol
CID 115826801
2-methyl-2-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol
CID 81219930
4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-ol
CID 65161611
3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol
CID 112753988
2-(furan-3-yl)-1-quinolin-6-ylethanol
CID 83172665
ethane;methane;1-(1-methylindazol-5-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 144811713
2-(cyclohexen-1-yl)-1-quinolin-6-ylethanol
CID 116660148

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol?
The IUPAC name of 3-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol (CID 144811689) is 3-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol.
What is the SMILES notation for 3-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol?
The canonical SMILES for 3-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol is OC(CCN1CCCC1)c1ccc2ncccc2c1.
What is the InChIKey of 3-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol?
The InChIKey is PLWQZMFVRNALQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c19-16(7-11-18-9-1-2-10-18)14-5-6-15-13(12-14)4-3-8-17-15/h3-6,8,12,16,19H,1-2,7,9-11H2.
What are the key properties of 3-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol?
3-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol has a molecular weight of 256.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol is sourced from PubChem (CID 144811689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).