7-bromoquinolin-5-ol;(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]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

C63H67Br3N6O9 — CID 160788942

IUPAC7-bromoquinolin-5-ol;(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]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc(C(C)N2C[C@H]([C@@H](C)Oc3cc(Br)cc4ncccc34)CC2=O)cc1.COc1ccc([C@H](C)N2C[C@H]([C@H](C)O)CC2=O)cc1.C[C@@H](Oc1cc(Br)cc2ncccc12)[C@H]1CNC(=O)C1.Oc1cc(Br)cc2ncccc12
InChIInChI=1S/C24H25BrN2O3.C15H15BrN2O2.C15H21NO3.C9H6BrNO/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;1-9(10-5-15(19)18-8-10)20-14-7-11(16)6-13-12(14)3-2-4-17-13;1-10(12-4-6-14(19-3)7-5-12)16-9-13(11(2)17)8-15(16)18;10-6-4-8-7(9(12)5-6)2-1-3-11-8/h4-10,12-13,15-16,18H,11,14H2,1-3H3;2-4,6-7,9-10H,5,8H2,1H3,(H,18,19);4-7,10-11,13,17H,8-9H2,1-3H3;1-5,12H/t15?,16-,18-;9-,10-;10-,11-,13+;/m110./s1
InChIKeySBOXGLSKNZGTAG-AETYMDPRSA-N
MW1291.97 g/mol
LogP12.97
Rot. Bonds13

About 7-bromoquinolin-5-ol;(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]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

7-bromoquinolin-5-ol;(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]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 160788942) has the molecular formula C63H67Br3N6O9 and a molecular weight of 1291.97 g/mol. Its IUPAC name is 7-bromoquinolin-5-ol;(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]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name7-bromoquinolin-5-ol;(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]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
PubChem CID160788942
Molecular FormulaC63H67Br3N6O9
Molecular Weight1291.97 g/mol
Exact Mass1288.25
IUPAC Name7-bromoquinolin-5-ol;(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]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc(C(C)N2C[C@H]([C@@H](C)Oc3cc(Br)cc4ncccc34)CC2=O)cc1.COc1ccc([C@H](C)N2C[C@H]([C@H](C)O)CC2=O)cc1.C[C@@H](Oc1cc(Br)cc2ncccc12)[C@H]1CNC(=O)C1.Oc1cc(Br)cc2ncccc12
InChIInChI=1S/C24H25BrN2O3.C15H15BrN2O2.C15H21NO3.C9H6BrNO/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;1-9(10-5-15(19)18-8-10)20-14-7-11(16)6-13-12(14)3-2-4-17-13;1-10(12-4-6-14(19-3)7-5-12)16-9-13(11(2)17)8-15(16)18;10-6-4-8-7(9(12)5-6)2-1-3-11-8/h4-10,12-13,15-16,18H,11,14H2,1-3H3;2-4,6-7,9-10H,5,8H2,1H3,(H,18,19);4-7,10-11,13,17H,8-9H2,1-3H3;1-5,12H/t15?,16-,18-;9-,10-;10-,11-,13+;/m110./s1
InChIKeySBOXGLSKNZGTAG-AETYMDPRSA-N
XLogP12.97
TPSA185.77 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001291.97
LogP ≤ 512.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 7-bromoquinolin-5-ol;(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]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-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

(4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[5-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 160580927
(4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 71242004
4-[1-(7-Bromoquinolin-5-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 78045137
1-[2-[(7-bromoquinolin-5-yl)oxymethyl]-3-pyridinyl]ethenamine;(4R)-4-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(6-methoxy-3-pyridinyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
CID 157125356
(4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(7-iodoquinolin-5-yl)oxyethyl]pyrrolidin-2-one
CID 157201522
(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-(7-phenylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;7-phenylquinolin-5-ol;(4R)-4-[(1R)-1-(7-phenylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
CID 158087963
1-[2-[(7-bromoquinolin-5-yl)oxymethyl]-3-pyridinyl]ethenamine;(4R)-4-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one;(5R)-5-[(1R)-1-[7-(6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]-1,3-oxazolidin-2-one;(5R)-5-[[7-(6-methoxy-3-pyridinyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
CID 158174071
6-bromo-2-methylindazol-4-ol;(4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 158617217
(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;7-(3,4,5-trimethoxyphenyl)quinolin-5-ol;(4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158861202
(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;7-pyridin-2-ylquinolin-5-ol;(4R)-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
CID 160795940
(4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one;quinolin-6-ylboronic acid;(4R)-4-[(1R)-1-(7-quinolin-6-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
CID 160991855

Frequently Asked Questions

What is the IUPAC name of 7-bromoquinolin-5-ol;(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]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 7-bromoquinolin-5-ol;(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]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (CID 160788942) is 7-bromoquinolin-5-ol;(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]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 7-bromoquinolin-5-ol;(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]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 7-bromoquinolin-5-ol;(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]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is COc1ccc(C(C)N2C[C@H]([C@@H](C)Oc3cc(Br)cc4ncccc34)CC2=O)cc1.COc1ccc([C@H](C)N2C[C@H]([C@H](C)O)CC2=O)cc1.C[C@@H](Oc1cc(Br)cc2ncccc12)[C@H]1CNC(=O)C1.Oc1cc(Br)cc2ncccc12.
What is the InChIKey of 7-bromoquinolin-5-ol;(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]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is SBOXGLSKNZGTAG-AETYMDPRSA-N. The full InChI is InChI=1S/C24H25BrN2O3.C15H15BrN2O2.C15H21NO3.C9H6BrNO/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;1-9(10-5-15(19)18-8-10)20-14-7-11(16)6-13-12(14)3-2-4-17-13;1-10(12-4-6-14(19-3)7-5-12)16-9-13(11(2)17)8-15(16)18;10-6-4-8-7(9(12)5-6)2-1-3-11-8/h4-10,12-13,15-16,18H,11,14H2,1-3H3;2-4,6-7,9-10H,5,8H2,1H3,(H,18,19);4-7,10-11,13,17H,8-9H2,1-3H3;1-5,12H/t15?,16-,18-;9-,10-;10-,11-,13+;/m110./s1.
What are the key properties of 7-bromoquinolin-5-ol;(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]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
7-bromoquinolin-5-ol;(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]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 1291.97 g/mol, XLogP of 12.97, 13 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromoquinolin-5-ol;(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]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 160788942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).