3-hydroxy-1-[[2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-2-one

C19H22N2O3 — CID 174207046

IUPAC3-hydroxy-1-[[2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-2-one
SMILESO=C1C(O)CCN1Cc1ccc2nc(C3CCOCC3)ccc2c1
InChIInChI=1S/C19H22N2O3/c22-18-5-8-21(19(18)23)12-13-1-3-17-15(11-13)2-4-16(20-17)14-6-9-24-10-7-14/h1-4,11,14,18,22H,5-10,12H2
InChIKeyUSIFPKSBAFBDGF-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.22
Rot. Bonds3

About 3-hydroxy-1-[[2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-2-one

3-hydroxy-1-[[2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-2-one (PubChem CID 174207046) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-hydroxy-1-[[2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[[2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-2-one
PubChem CID174207046
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-hydroxy-1-[[2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-2-one
SMILESO=C1C(O)CCN1Cc1ccc2nc(C3CCOCC3)ccc2c1
InChIInChI=1S/C19H22N2O3/c22-18-5-8-21(19(18)23)12-13-1-3-17-15(11-13)2-4-16(20-17)14-6-9-24-10-7-14/h1-4,11,14,18,22H,5-10,12H2
InChIKeyUSIFPKSBAFBDGF-UHFFFAOYSA-N
XLogP2.22
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[[2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 3-hydroxy-1-[[2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-2-one (CID 174207046) is 3-hydroxy-1-[[2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-hydroxy-1-[[2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 3-hydroxy-1-[[2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-2-one is O=C1C(O)CCN1Cc1ccc2nc(C3CCOCC3)ccc2c1.
What is the InChIKey of 3-hydroxy-1-[[2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-2-one?
The InChIKey is USIFPKSBAFBDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-18-5-8-21(19(18)23)12-13-1-3-17-15(11-13)2-4-16(20-17)14-6-9-24-10-7-14/h1-4,11,14,18,22H,5-10,12H2.
What are the key properties of 3-hydroxy-1-[[2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-2-one?
3-hydroxy-1-[[2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-2-one has a molecular weight of 326.40 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[[2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 174207046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).