(4R)-4-[(1R)-1-[7-(6-propan-2-yloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

C23H25N3O3 — CID 71241933

IUPAC(4R)-4-[(1R)-1-[7-(6-propan-2-yloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(C)Oc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1
InChIInChI=1S/C23H25N3O3/c1-14(2)28-23-7-6-16(12-26-23)17-9-20-19(5-4-8-24-20)21(10-17)29-15(3)18-11-22(27)25-13-18/h4-10,12,14-15,18H,11,13H2,1-3H3,(H,25,27)/t15-,18-/m1/s1
InChIKeyTWNNEFVALBUOIU-CRAIPNDOSA-N
MW391.47 g/mol
LogP3.99
Rot. Bonds6

About (4R)-4-[(1R)-1-[7-(6-propan-2-yloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[7-(6-propan-2-yloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 71241933) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-(6-propan-2-yloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[7-(6-propan-2-yloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID71241933
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(4R)-4-[(1R)-1-[7-(6-propan-2-yloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(C)Oc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1
InChIInChI=1S/C23H25N3O3/c1-14(2)28-23-7-6-16(12-26-23)17-9-20-19(5-4-8-24-20)21(10-17)29-15(3)18-11-22(27)25-13-18/h4-10,12,14-15,18H,11,13H2,1-3H3,(H,25,27)/t15-,18-/m1/s1
InChIKeyTWNNEFVALBUOIU-CRAIPNDOSA-N
XLogP3.99
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[7-(6-propan-2-yloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[7-(6-propan-2-yloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 71241933) is (4R)-4-[(1R)-1-[7-(6-propan-2-yloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[7-(6-propan-2-yloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[7-(6-propan-2-yloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is CC(C)Oc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1.
What is the InChIKey of (4R)-4-[(1R)-1-[7-(6-propan-2-yloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is TWNNEFVALBUOIU-CRAIPNDOSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-14(2)28-23-7-6-16(12-26-23)17-9-20-19(5-4-8-24-20)21(10-17)29-15(3)18-11-22(27)25-13-18/h4-10,12,14-15,18H,11,13H2,1-3H3,(H,25,27)/t15-,18-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[7-(6-propan-2-yloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[7-(6-propan-2-yloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 391.47 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[7-(6-propan-2-yloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71241933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).