4-(pyrrolidin-1-ylmethyl)quinolin-3-ol

C14H16N2O — CID 135308025

IUPAC4-(pyrrolidin-1-ylmethyl)quinolin-3-ol
SMILESOc1cnc2ccccc2c1CN1CCCC1
InChIInChI=1S/C14H16N2O/c17-14-9-15-13-6-2-1-5-11(13)12(14)10-16-7-3-4-8-16/h1-2,5-6,9,17H,3-4,7-8,10H2
InChIKeyRTUHNOXRMYKHCR-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.54
Rot. Bonds2

About 4-(pyrrolidin-1-ylmethyl)quinolin-3-ol

4-(pyrrolidin-1-ylmethyl)quinolin-3-ol (PubChem CID 135308025) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-(pyrrolidin-1-ylmethyl)quinolin-3-ol.

Molecular Properties

Compound Name4-(pyrrolidin-1-ylmethyl)quinolin-3-ol
PubChem CID135308025
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name4-(pyrrolidin-1-ylmethyl)quinolin-3-ol
SMILESOc1cnc2ccccc2c1CN1CCCC1
InChIInChI=1S/C14H16N2O/c17-14-9-15-13-6-2-1-5-11(13)12(14)10-16-7-3-4-8-16/h1-2,5-6,9,17H,3-4,7-8,10H2
InChIKeyRTUHNOXRMYKHCR-UHFFFAOYSA-N
XLogP2.54
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-1-ylmethyl)quinolin-3-ol?
The IUPAC name of 4-(pyrrolidin-1-ylmethyl)quinolin-3-ol (CID 135308025) is 4-(pyrrolidin-1-ylmethyl)quinolin-3-ol.
What is the SMILES notation for 4-(pyrrolidin-1-ylmethyl)quinolin-3-ol?
The canonical SMILES for 4-(pyrrolidin-1-ylmethyl)quinolin-3-ol is Oc1cnc2ccccc2c1CN1CCCC1.
What is the InChIKey of 4-(pyrrolidin-1-ylmethyl)quinolin-3-ol?
The InChIKey is RTUHNOXRMYKHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-14-9-15-13-6-2-1-5-11(13)12(14)10-16-7-3-4-8-16/h1-2,5-6,9,17H,3-4,7-8,10H2.
What are the key properties of 4-(pyrrolidin-1-ylmethyl)quinolin-3-ol?
4-(pyrrolidin-1-ylmethyl)quinolin-3-ol has a molecular weight of 228.30 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-1-ylmethyl)quinolin-3-ol is sourced from PubChem (CID 135308025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).