[4-[3-(methoxymethyl)pyrrolidin-1-yl]quinolin-2-yl]methanol

C16H20N2O2 — CID 64598867

IUPAC[4-[3-(methoxymethyl)pyrrolidin-1-yl]quinolin-2-yl]methanol
SMILESCOCC1CCN(c2cc(CO)nc3ccccc23)C1
InChIInChI=1S/C16H20N2O2/c1-20-11-12-6-7-18(9-12)16-8-13(10-19)17-15-5-3-2-4-14(15)16/h2-5,8,12,19H,6-7,9-11H2,1H3
InChIKeyVSIRVSIVAGRYBF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.20
Rot. Bonds4

About [4-[3-(methoxymethyl)pyrrolidin-1-yl]quinolin-2-yl]methanol

[4-[3-(methoxymethyl)pyrrolidin-1-yl]quinolin-2-yl]methanol (PubChem CID 64598867) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [4-[3-(methoxymethyl)pyrrolidin-1-yl]quinolin-2-yl]methanol.

Molecular Properties

Compound Name[4-[3-(methoxymethyl)pyrrolidin-1-yl]quinolin-2-yl]methanol
PubChem CID64598867
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[4-[3-(methoxymethyl)pyrrolidin-1-yl]quinolin-2-yl]methanol
SMILESCOCC1CCN(c2cc(CO)nc3ccccc23)C1
InChIInChI=1S/C16H20N2O2/c1-20-11-12-6-7-18(9-12)16-8-13(10-19)17-15-5-3-2-4-14(15)16/h2-5,8,12,19H,6-7,9-11H2,1H3
InChIKeyVSIRVSIVAGRYBF-UHFFFAOYSA-N
XLogP2.20
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(methoxymethyl)pyrrolidin-1-yl]quinolin-2-yl]methanol?
The IUPAC name of [4-[3-(methoxymethyl)pyrrolidin-1-yl]quinolin-2-yl]methanol (CID 64598867) is [4-[3-(methoxymethyl)pyrrolidin-1-yl]quinolin-2-yl]methanol.
What is the SMILES notation for [4-[3-(methoxymethyl)pyrrolidin-1-yl]quinolin-2-yl]methanol?
The canonical SMILES for [4-[3-(methoxymethyl)pyrrolidin-1-yl]quinolin-2-yl]methanol is COCC1CCN(c2cc(CO)nc3ccccc23)C1.
What is the InChIKey of [4-[3-(methoxymethyl)pyrrolidin-1-yl]quinolin-2-yl]methanol?
The InChIKey is VSIRVSIVAGRYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-20-11-12-6-7-18(9-12)16-8-13(10-19)17-15-5-3-2-4-14(15)16/h2-5,8,12,19H,6-7,9-11H2,1H3.
What are the key properties of [4-[3-(methoxymethyl)pyrrolidin-1-yl]quinolin-2-yl]methanol?
[4-[3-(methoxymethyl)pyrrolidin-1-yl]quinolin-2-yl]methanol has a molecular weight of 272.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(methoxymethyl)pyrrolidin-1-yl]quinolin-2-yl]methanol is sourced from PubChem (CID 64598867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).