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

C78H72BrN11O12 — CID 157125356

IUPAC1-[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
SMILESC=C(N)c1cccnc1COc1cc(Br)cc2ncccc12.COc1cc(-c2cc(OC[C@H]3CNC(=O)C3)c3cccnc3c2)ccc1O.COc1ccc(-c2cc(OC[C@H]3CNC(=O)O3)c3cccnc3c2)cn1.COc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1
InChIInChI=1S/C21H21N3O3.C21H20N2O4.C19H17N3O4.C17H14BrN3O/c1-13(16-10-20(25)23-12-16)27-19-9-15(8-18-17(19)4-3-7-22-18)14-5-6-21(26-2)24-11-14;1-26-20-9-14(4-5-18(20)24)15-8-17-16(3-2-6-22-17)19(10-15)27-12-13-7-21(25)23-11-13;1-24-18-5-4-12(9-21-18)13-7-16-15(3-2-6-20-16)17(8-13)25-11-14-10-22-19(23)26-14;1-11(19)13-4-2-7-21-16(13)10-22-17-9-12(18)8-15-14(17)5-3-6-20-15/h3-9,11,13,16H,10,12H2,1-2H3,(H,23,25);2-6,8-10,13,24H,7,11-12H2,1H3,(H,23,25);2-9,14H,10-11H2,1H3,(H,22,23);2-9H,1,10,19H2/t13-,16-;13-;14-;/m111./s1
InChIKeyAILFSFYOQIKSTA-QKQHZAPHSA-N
MW1435.40 g/mol
LogP13.03
Rot. Bonds19

About 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

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 (PubChem CID 157125356) has the molecular formula C78H72BrN11O12 and a molecular weight of 1435.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID157125356
Molecular FormulaC78H72BrN11O12
Molecular Weight1435.40 g/mol
Exact Mass1433.45
IUPAC Name1-[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
SMILESC=C(N)c1cccnc1COc1cc(Br)cc2ncccc12.COc1cc(-c2cc(OC[C@H]3CNC(=O)C3)c3cccnc3c2)ccc1O.COc1ccc(-c2cc(OC[C@H]3CNC(=O)O3)c3cccnc3c2)cn1.COc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1
InChIInChI=1S/C21H21N3O3.C21H20N2O4.C19H17N3O4.C17H14BrN3O/c1-13(16-10-20(25)23-12-16)27-19-9-15(8-18-17(19)4-3-7-22-18)14-5-6-21(26-2)24-11-14;1-26-20-9-14(4-5-18(20)24)15-8-17-16(3-2-6-22-17)19(10-15)27-12-13-7-21(25)23-11-13;1-24-18-5-4-12(9-21-18)13-7-16-15(3-2-6-20-16)17(8-13)25-11-14-10-22-19(23)26-14;1-11(19)13-4-2-7-21-16(13)10-22-17-9-12(18)8-15-14(17)5-3-6-20-15/h3-9,11,13,16H,10,12H2,1-2H3,(H,23,25);2-6,8-10,13,24H,7,11-12H2,1H3,(H,23,25);2-9,14H,10-11H2,1H3,(H,22,23);2-9H,1,10,19H2/t13-,16-;13-;14-;/m111./s1
InChIKeyAILFSFYOQIKSTA-QKQHZAPHSA-N
XLogP13.03
TPSA297.62 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001435.40
LogP ≤ 513.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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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
(5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(5R)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one;7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-ol;(5R)-5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
CID 157380031
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
5-ethoxy-7-(3,4,5-trimethoxyphenyl)quinoline;(4R)-4-[(1R)-1-(7-phenylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;bis((4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one);5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one
CID 158290336
(4R)-4-[(1R)-1-[7-(3,5-difluoro-4-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
CID 158613087
(4R)-4-[[7-(3,5-difluoro-4-methoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one;(4R)-4-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one;(5R)-5-[[7-(6-methoxy-3-pyridinyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(5R)-5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
CID 160089364
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
(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
(5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(4R)-4-[(1R)-1-[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 161273381
(4R)-4-[(1R)-1-[7-(3,5-difluoro-4-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(3,5-difluoro-4-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(5R)-5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
CID 161554818

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(N)c1cccnc1COc1cc(Br)cc2ncccc12.COc1cc(-c2cc(OC[C@H]3CNC(=O)C3)c3cccnc3c2)ccc1O.COc1ccc(-c2cc(OC[C@H]3CNC(=O)O3)c3cccnc3c2)cn1.COc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1.
What is the InChIKey of 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?
The InChIKey is AILFSFYOQIKSTA-QKQHZAPHSA-N. The full InChI is InChI=1S/C21H21N3O3.C21H20N2O4.C19H17N3O4.C17H14BrN3O/c1-13(16-10-20(25)23-12-16)27-19-9-15(8-18-17(19)4-3-7-22-18)14-5-6-21(26-2)24-11-14;1-26-20-9-14(4-5-18(20)24)15-8-17-16(3-2-6-22-17)19(10-15)27-12-13-7-21(25)23-11-13;1-24-18-5-4-12(9-21-18)13-7-16-15(3-2-6-20-16)17(8-13)25-11-14-10-22-19(23)26-14;1-11(19)13-4-2-7-21-16(13)10-22-17-9-12(18)8-15-14(17)5-3-6-20-15/h3-9,11,13,16H,10,12H2,1-2H3,(H,23,25);2-6,8-10,13,24H,7,11-12H2,1H3,(H,23,25);2-9,14H,10-11H2,1H3,(H,22,23);2-9H,1,10,19H2/t13-,16-;13-;14-;/m111./s1.
What are the key properties of 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?
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 has a molecular weight of 1435.40 g/mol, XLogP of 13.03, 19 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157125356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).