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

C22H23N3O3 — CID 71241937

IUPAC(4R)-4-[(1R)-1-[7-(6-ethoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCCOc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1
InChIInChI=1S/C22H23N3O3/c1-3-27-22-7-6-15(12-25-22)16-9-19-18(5-4-8-23-19)20(10-16)28-14(2)17-11-21(26)24-13-17/h4-10,12,14,17H,3,11,13H2,1-2H3,(H,24,26)/t14-,17-/m1/s1
InChIKeyNNTCGPYHBABGDR-RHSMWYFYSA-N
MW377.44 g/mol
LogP3.60
Rot. Bonds6

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

(4R)-4-[(1R)-1-[7-(6-ethoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 71241937) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-(6-ethoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[7-(6-ethoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID71241937
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(4R)-4-[(1R)-1-[7-(6-ethoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCCOc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1
InChIInChI=1S/C22H23N3O3/c1-3-27-22-7-6-15(12-25-22)16-9-19-18(5-4-8-23-19)20(10-16)28-14(2)17-11-21(26)24-13-17/h4-10,12,14,17H,3,11,13H2,1-2H3,(H,24,26)/t14-,17-/m1/s1
InChIKeyNNTCGPYHBABGDR-RHSMWYFYSA-N
XLogP3.60
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.60
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-ethoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[7-(6-ethoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 71241937) is (4R)-4-[(1R)-1-[7-(6-ethoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[7-(6-ethoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[7-(6-ethoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is CCOc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1.
What is the InChIKey of (4R)-4-[(1R)-1-[7-(6-ethoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is NNTCGPYHBABGDR-RHSMWYFYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-27-22-7-6-15(12-25-22)16-9-19-18(5-4-8-23-19)20(10-16)28-14(2)17-11-21(26)24-13-17/h4-10,12,14,17H,3,11,13H2,1-2H3,(H,24,26)/t14-,17-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[7-(6-ethoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[7-(6-ethoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 377.44 g/mol, XLogP of 3.60, 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-ethoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71241937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).