(4R)-4-[(1R)-1-[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one

C26H29N3O3 — CID 71241912

IUPAC(4R)-4-[(1R)-1-[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc(CN3CCOCC3)cc2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C26H29N3O3/c1-18(22-15-26(30)28-16-22)32-25-14-21(13-24-23(25)3-2-8-27-24)20-6-4-19(5-7-20)17-29-9-11-31-12-10-29/h2-8,13-14,18,22H,9-12,15-17H2,1H3,(H,28,30)/t18-,22-/m1/s1
InChIKeyCZLZMKRXCHJXII-XMSQKQJNSA-N
MW431.54 g/mol
LogP3.64
Rot. Bonds6

About (4R)-4-[(1R)-1-[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 71241912) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID71241912
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name(4R)-4-[(1R)-1-[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc(CN3CCOCC3)cc2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C26H29N3O3/c1-18(22-15-26(30)28-16-22)32-25-14-21(13-24-23(25)3-2-8-27-24)20-6-4-19(5-7-20)17-29-9-11-31-12-10-29/h2-8,13-14,18,22H,9-12,15-17H2,1H3,(H,28,30)/t18-,22-/m1/s1
InChIKeyCZLZMKRXCHJXII-XMSQKQJNSA-N
XLogP3.64
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.64
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-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 71241912) is (4R)-4-[(1R)-1-[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(-c2ccc(CN3CCOCC3)cc2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is CZLZMKRXCHJXII-XMSQKQJNSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-18(22-15-26(30)28-16-22)32-25-14-21(13-24-23(25)3-2-8-27-24)20-6-4-19(5-7-20)17-29-9-11-31-12-10-29/h2-8,13-14,18,22H,9-12,15-17H2,1H3,(H,28,30)/t18-,22-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 431.54 g/mol, XLogP of 3.64, 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-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71241912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).