(4R)-4-[(1R)-1-[7-(3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

C22H20N4O2 — CID 71241913

IUPAC(4R)-4-[(1R)-1-[7-(3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc3nc[nH]c3c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C22H20N4O2/c1-13(16-10-22(27)24-11-16)28-21-9-15(8-19-17(21)3-2-6-23-19)14-4-5-18-20(7-14)26-12-25-18/h2-9,12-13,16H,10-11H2,1H3,(H,24,27)(H,25,26)/t13-,16-/m1/s1
InChIKeyIZRFVLMIBZRWHE-CZUORRHYSA-N
MW372.43 g/mol
LogP3.68
Rot. Bonds4

About (4R)-4-[(1R)-1-[7-(3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[7-(3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 71241913) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-(3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[7-(3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID71241913
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name(4R)-4-[(1R)-1-[7-(3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc3nc[nH]c3c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C22H20N4O2/c1-13(16-10-22(27)24-11-16)28-21-9-15(8-19-17(21)3-2-6-23-19)14-4-5-18-20(7-14)26-12-25-18/h2-9,12-13,16H,10-11H2,1H3,(H,24,27)(H,25,26)/t13-,16-/m1/s1
InChIKeyIZRFVLMIBZRWHE-CZUORRHYSA-N
XLogP3.68
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[7-(3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[7-(3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 71241913) is (4R)-4-[(1R)-1-[7-(3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[7-(3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[7-(3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(-c2ccc3nc[nH]c3c2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[7-(3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is IZRFVLMIBZRWHE-CZUORRHYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-13(16-10-22(27)24-11-16)28-21-9-15(8-19-17(21)3-2-6-23-19)14-4-5-18-20(7-14)26-12-25-18/h2-9,12-13,16H,10-11H2,1H3,(H,24,27)(H,25,26)/t13-,16-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[7-(3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[7-(3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 372.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[7-(3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71241913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).