(1-quinolin-8-ylpyrrolidin-3-yl)methanol

C14H16N2O — CID 64863292

IUPAC(1-quinolin-8-ylpyrrolidin-3-yl)methanol
SMILESOCC1CCN(c2cccc3cccnc23)C1
InChIInChI=1S/C14H16N2O/c17-10-11-6-8-16(9-11)13-5-1-3-12-4-2-7-15-14(12)13/h1-5,7,11,17H,6,8-10H2
InChIKeyWHVPRXNFUHAUIA-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.05
Rot. Bonds2

About (1-quinolin-8-ylpyrrolidin-3-yl)methanol

(1-quinolin-8-ylpyrrolidin-3-yl)methanol (PubChem CID 64863292) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is (1-quinolin-8-ylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(1-quinolin-8-ylpyrrolidin-3-yl)methanol
PubChem CID64863292
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name(1-quinolin-8-ylpyrrolidin-3-yl)methanol
SMILESOCC1CCN(c2cccc3cccnc23)C1
InChIInChI=1S/C14H16N2O/c17-10-11-6-8-16(9-11)13-5-1-3-12-4-2-7-15-14(12)13/h1-5,7,11,17H,6,8-10H2
InChIKeyWHVPRXNFUHAUIA-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-quinolin-8-ylpyrrolidin-3-yl)methanol?
The IUPAC name of (1-quinolin-8-ylpyrrolidin-3-yl)methanol (CID 64863292) is (1-quinolin-8-ylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (1-quinolin-8-ylpyrrolidin-3-yl)methanol?
The canonical SMILES for (1-quinolin-8-ylpyrrolidin-3-yl)methanol is OCC1CCN(c2cccc3cccnc23)C1.
What is the InChIKey of (1-quinolin-8-ylpyrrolidin-3-yl)methanol?
The InChIKey is WHVPRXNFUHAUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-10-11-6-8-16(9-11)13-5-1-3-12-4-2-7-15-14(12)13/h1-5,7,11,17H,6,8-10H2.
What are the key properties of (1-quinolin-8-ylpyrrolidin-3-yl)methanol?
(1-quinolin-8-ylpyrrolidin-3-yl)methanol has a molecular weight of 228.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-quinolin-8-ylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 64863292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).