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

C23H25N3O3 — CID 123324119

IUPAC4-[[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCC(C)(C)Oc1ccc(-c2cc(OCC3CNC(=O)C3)c3cccnc3c2)cn1
InChIInChI=1S/C23H25N3O3/c1-23(2,3)29-22-7-6-16(13-26-22)17-10-19-18(5-4-8-24-19)20(11-17)28-14-15-9-21(27)25-12-15/h4-8,10-11,13,15H,9,12,14H2,1-3H3,(H,25,27)
InChIKeyYBJKKONFMOVBJL-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.99
Rot. Bonds5

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

4-[[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 123324119) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-[[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one
PubChem CID123324119
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name4-[[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCC(C)(C)Oc1ccc(-c2cc(OCC3CNC(=O)C3)c3cccnc3c2)cn1
InChIInChI=1S/C23H25N3O3/c1-23(2,3)29-22-7-6-16(13-26-22)17-10-19-18(5-4-8-24-19)20(11-17)28-14-15-9-21(27)25-12-15/h4-8,10-11,13,15H,9,12,14H2,1-3H3,(H,25,27)
InChIKeyYBJKKONFMOVBJL-UHFFFAOYSA-N
XLogP3.99
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of 4-[[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one (CID 123324119) is 4-[[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one is CC(C)(C)Oc1ccc(-c2cc(OCC3CNC(=O)C3)c3cccnc3c2)cn1.
What is the InChIKey of 4-[[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is YBJKKONFMOVBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-23(2,3)29-22-7-6-16(13-26-22)17-10-19-18(5-4-8-24-19)20(11-17)28-14-15-9-21(27)25-12-15/h4-8,10-11,13,15H,9,12,14H2,1-3H3,(H,25,27).
What are the key properties of 4-[[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
4-[[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 391.47 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 123324119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).