(4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

C24H25BrN2O3 — CID 71242004

IUPAC(4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc(C(C)N2C[C@H]([C@@H](C)Oc3cc(Br)cc4ncccc34)CC2=O)cc1
InChIInChI=1S/C24H25BrN2O3/c1-15(17-6-8-20(29-3)9-7-17)27-14-18(11-24(27)28)16(2)30-23-13-19(25)12-22-21(23)5-4-10-26-22/h4-10,12-13,15-16,18H,11,14H2,1-3H3/t15?,16-,18-/m1/s1
InChIKeyCGYYSDCKOFWJKP-WOEZKJSCSA-N
MW469.38 g/mol
LogP5.38
Rot. Bonds6

About (4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 71242004) has the molecular formula C24H25BrN2O3 and a molecular weight of 469.38 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
PubChem CID71242004
Molecular FormulaC24H25BrN2O3
Molecular Weight469.38 g/mol
Exact Mass468.10
IUPAC Name(4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc(C(C)N2C[C@H]([C@@H](C)Oc3cc(Br)cc4ncccc34)CC2=O)cc1
InChIInChI=1S/C24H25BrN2O3/c1-15(17-6-8-20(29-3)9-7-17)27-14-18(11-24(27)28)16(2)30-23-13-19(25)12-22-21(23)5-4-10-26-22/h4-10,12-13,15-16,18H,11,14H2,1-3H3/t15?,16-,18-/m1/s1
InChIKeyCGYYSDCKOFWJKP-WOEZKJSCSA-N
XLogP5.38
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.38
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (CID 71242004) is (4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is COc1ccc(C(C)N2C[C@H]([C@@H](C)Oc3cc(Br)cc4ncccc34)CC2=O)cc1.
What is the InChIKey of (4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is CGYYSDCKOFWJKP-WOEZKJSCSA-N. The full InChI is InChI=1S/C24H25BrN2O3/c1-15(17-6-8-20(29-3)9-7-17)27-14-18(11-24(27)28)16(2)30-23-13-19(25)12-22-21(23)5-4-10-26-22/h4-10,12-13,15-16,18H,11,14H2,1-3H3/t15?,16-,18-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 469.38 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 71242004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).