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

C23H22N4O2 — CID 71241981

IUPAC(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1nc2ccc(-c3cc(O[C@H](C)[C@H]4CNC(=O)C4)c4cccnc4c3)cc2[nH]1
InChIInChI=1S/C23H22N4O2/c1-13(17-11-23(28)25-12-17)29-22-10-16(9-20-18(22)4-3-7-24-20)15-5-6-19-21(8-15)27-14(2)26-19/h3-10,13,17H,11-12H2,1-2H3,(H,25,28)(H,26,27)/t13-,17-/m1/s1
InChIKeyVBAJQFDWESLMDW-CXAGYDPISA-N
MW386.46 g/mol
LogP3.99
Rot. Bonds4

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

(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 71241981) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID71241981
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1nc2ccc(-c3cc(O[C@H](C)[C@H]4CNC(=O)C4)c4cccnc4c3)cc2[nH]1
InChIInChI=1S/C23H22N4O2/c1-13(17-11-23(28)25-12-17)29-22-10-16(9-20-18(22)4-3-7-24-20)15-5-6-19-21(8-15)27-14(2)26-19/h3-10,13,17H,11-12H2,1-2H3,(H,25,28)(H,26,27)/t13-,17-/m1/s1
InChIKeyVBAJQFDWESLMDW-CXAGYDPISA-N
XLogP3.99
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.99
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-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 71241981) is (4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is Cc1nc2ccc(-c3cc(O[C@H](C)[C@H]4CNC(=O)C4)c4cccnc4c3)cc2[nH]1.
What is the InChIKey of (4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is VBAJQFDWESLMDW-CXAGYDPISA-N. The full InChI is InChI=1S/C23H22N4O2/c1-13(17-11-23(28)25-12-17)29-22-10-16(9-20-18(22)4-3-7-24-20)15-5-6-19-21(8-15)27-14(2)26-19/h3-10,13,17H,11-12H2,1-2H3,(H,25,28)(H,26,27)/t13-,17-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 386.46 g/mol, XLogP of 3.99, 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-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71241981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).