4-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one

C24H25N3O4 — CID 144516379

IUPAC4-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESO=C1CC(COc2cc(-c3ccc(OC4CCOCC4)nc3)cc3ncccc23)CN1
InChIInChI=1S/C24H25N3O4/c28-23-10-16(13-26-23)15-30-22-12-18(11-21-20(22)2-1-7-25-21)17-3-4-24(27-14-17)31-19-5-8-29-9-6-19/h1-4,7,11-12,14,16,19H,5-6,8-10,13,15H2,(H,26,28)
InChIKeyROXGANZRPAIODB-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.37
Rot. Bonds6

About 4-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one

4-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 144516379) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 4-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one
PubChem CID144516379
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name4-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESO=C1CC(COc2cc(-c3ccc(OC4CCOCC4)nc3)cc3ncccc23)CN1
InChIInChI=1S/C24H25N3O4/c28-23-10-16(13-26-23)15-30-22-12-18(11-21-20(22)2-1-7-25-21)17-3-4-24(27-14-17)31-19-5-8-29-9-6-19/h1-4,7,11-12,14,16,19H,5-6,8-10,13,15H2,(H,26,28)
InChIKeyROXGANZRPAIODB-UHFFFAOYSA-N
XLogP3.37
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of 4-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one (CID 144516379) is 4-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one is O=C1CC(COc2cc(-c3ccc(OC4CCOCC4)nc3)cc3ncccc23)CN1.
What is the InChIKey of 4-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is ROXGANZRPAIODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c28-23-10-16(13-26-23)15-30-22-12-18(11-21-20(22)2-1-7-25-21)17-3-4-24(27-14-17)31-19-5-8-29-9-6-19/h1-4,7,11-12,14,16,19H,5-6,8-10,13,15H2,(H,26,28).
What are the key properties of 4-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
4-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 419.48 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 144516379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).