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

C24H21N3O2 — CID 71241906

IUPAC(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc3ccccc3n2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C24H21N3O2/c1-15(18-13-24(28)26-14-18)29-23-12-17(11-22-19(23)6-4-10-25-22)21-9-8-16-5-2-3-7-20(16)27-21/h2-12,15,18H,13-14H2,1H3,(H,26,28)/t15-,18-/m1/s1
InChIKeyIUKLCVNKYRSKCU-CRAIPNDOSA-N
MW383.45 g/mol
LogP4.35
Rot. Bonds4

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

(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one (PubChem CID 71241906) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
PubChem CID71241906
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc3ccccc3n2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C24H21N3O2/c1-15(18-13-24(28)26-14-18)29-23-12-17(11-22-19(23)6-4-10-25-22)21-9-8-16-5-2-3-7-20(16)27-21/h2-12,15,18H,13-14H2,1H3,(H,26,28)/t15-,18-/m1/s1
InChIKeyIUKLCVNKYRSKCU-CRAIPNDOSA-N
XLogP4.35
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one (CID 71241906) is (4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(-c2ccc3ccccc3n2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one?
The InChIKey is IUKLCVNKYRSKCU-CRAIPNDOSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-15(18-13-24(28)26-14-18)29-23-12-17(11-22-19(23)6-4-10-25-22)21-9-8-16-5-2-3-7-20(16)27-21/h2-12,15,18H,13-14H2,1H3,(H,26,28)/t15-,18-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one has a molecular weight of 383.45 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71241906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).