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

C24H25BrN2O3 — CID 78045137

IUPAC4-[1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc(C(C)N2CC(C(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
InChIKeyCGYYSDCKOFWJKP-UHFFFAOYSA-N
MW469.38 g/mol
LogP5.38
Rot. Bonds6

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

4-[1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 78045137) has the molecular formula C24H25BrN2O3 and a molecular weight of 469.38 g/mol. Its IUPAC name is 4-[1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
PubChem CID78045137
Molecular FormulaC24H25BrN2O3
Molecular Weight469.38 g/mol
Exact Mass468.10
IUPAC Name4-[1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc(C(C)N2CC(C(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
InChIKeyCGYYSDCKOFWJKP-UHFFFAOYSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-4-((R)-1-(7-phenylquinolin-5-yloxy)ethyl)pyrrolidin-2-one
CID 71237983
N-methyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide
CID 71241920
N-ethyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide
CID 71241927
(R)-4-((R)-1-(7-bromoquinolin-5-yloxy)ethyl)pyrrolidin-2-one
CID 71238288
(R)-4-((R)-1-(7-iodoquinolin-5-yloxy)ethyl)pyrrolidin-2-one
CID 71238317
Tert-butyl 4-[1-(4-bromo-2-fluorophenyl)indol-4-yl]oxypiperidine-1-carboxylate
CID 68847786
tert-butyl (6S)-6-[(7-bromoquinolin-5-yl)oxymethyl]-2,2-difluoromorpholine-4-carboxylate
CID 176863615
3-Bromo-7-phenylmethoxyquinoline
CID 25139403
1-(3,4-dihydro-2H-quinolin-1-yl)-4-quinolin-5-yloxybutan-1-one
CID 67223930
Allyl-[6-[4-(4-bromo-phenyl)-quinolin-7-yloxy]-hexyl]-methyl-amine
CID 67684836
4-[(1R)-1-(7-phenylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
CID 71237984
4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one
CID 71238290

Frequently Asked Questions

What is the IUPAC name of 4-[1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (CID 78045137) is 4-[1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is COc1ccc(C(C)N2CC(C(C)Oc3cc(Br)cc4ncccc34)CC2=O)cc1.
What is the InChIKey of 4-[1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is CGYYSDCKOFWJKP-UHFFFAOYSA-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.
What are the key properties of 4-[1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
4-[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 4-[1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 78045137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).