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

C113H119N9O21 — CID 158290336

IUPAC5-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
SMILESCCOc1cc(-c2cc(OC)c(OC)c(OC)c2)cc2ncccc12.COc1cc(-c2cc(OCC3CCC(=O)NC3)c3cccnc3c2)cc(OC)c1OC.COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc(OC)c1OC.COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc(OC)c1OC.C[C@@H](Oc1cc(-c2ccccc2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/3C24H26N2O5.C21H20N2O2.C20H21NO4/c2*1-14(17-12-23(27)26-13-17)31-20-9-15(8-19-18(20)6-5-7-25-19)16-10-21(28-2)24(30-4)22(11-16)29-3;1-28-21-11-17(12-22(29-2)24(21)30-3)16-9-19-18(5-4-8-25-19)20(10-16)31-14-15-6-7-23(27)26-13-15;1-14(17-12-21(24)23-13-17)25-20-11-16(15-6-3-2-4-7-15)10-19-18(20)8-5-9-22-19;1-5-25-17-10-13(9-16-15(17)7-6-8-21-16)14-11-18(22-2)20(24-4)19(12-14)23-3/h2*5-11,14,17H,12-13H2,1-4H3,(H,26,27);4-5,8-12,15H,6-7,13-14H2,1-3H3,(H,26,27);2-11,14,17H,12-13H2,1H3,(H,23,24);6-12H,5H2,1-4H3/t2*14-,17-;;14-,17-;/m11.1./s1
InChIKeyGLGSMARWVAEGFC-VOEFWNCTSA-N
MW1939.24 g/mol
LogP19.63
Rot. Bonds31

About 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

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 (PubChem CID 158290336) has the molecular formula C113H119N9O21 and a molecular weight of 1939.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID158290336
Molecular FormulaC113H119N9O21
Molecular Weight1939.24 g/mol
Exact Mass1937.85
IUPAC Name5-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
SMILESCCOc1cc(-c2cc(OC)c(OC)c(OC)c2)cc2ncccc12.COc1cc(-c2cc(OCC3CCC(=O)NC3)c3cccnc3c2)cc(OC)c1OC.COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc(OC)c1OC.COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc(OC)c1OC.C[C@@H](Oc1cc(-c2ccccc2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/3C24H26N2O5.C21H20N2O2.C20H21NO4/c2*1-14(17-12-23(27)26-13-17)31-20-9-15(8-19-18(20)6-5-7-25-19)16-10-21(28-2)24(30-4)22(11-16)29-3;1-28-21-11-17(12-22(29-2)24(21)30-3)16-9-19-18(5-4-8-25-19)20(10-16)31-14-15-6-7-23(27)26-13-15;1-14(17-12-21(24)23-13-17)25-20-11-16(15-6-3-2-4-7-15)10-19-18(20)8-5-9-22-19;1-5-25-17-10-13(9-16-15(17)7-6-8-21-16)14-11-18(22-2)20(24-4)19(12-14)23-3/h2*5-11,14,17H,12-13H2,1-4H3,(H,26,27);4-5,8-12,15H,6-7,13-14H2,1-3H3,(H,26,27);2-11,14,17H,12-13H2,1H3,(H,23,24);6-12H,5H2,1-4H3/t2*14-,17-;;14-,17-;/m11.1./s1
InChIKeyGLGSMARWVAEGFC-VOEFWNCTSA-N
XLogP19.63
TPSA337.76 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds31
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001939.24
LogP ≤ 519.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 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 with MolForge

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Related Compounds

(R)-4-((R)-1-(7-(3,4,5-trimethoxyphenyl)quinolin-5-yloxy)ethyl)pyrrolidin-2-one
CID 71238463
(4R)-4-[(1R)-1-[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241892
(4R)-4-[(1R)-1-[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241896
(4R)-4-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one
CID 71241931
(4R)-4-[(1R)-1-[7-[5-(1,1-difluoroethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-(1,1-difluoroethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-(1-fluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-(1-fluoroethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 157486031
(4R)-4-[(1R)-1-[7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(5,6-dimethoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[3-methoxy-4-(trifluoromethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 161436358
4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71238465
(4R)-4-[2-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71240317
5-[[7-(3,4,5-Trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one
CID 71241928
(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241993
(4R)-1-(1-phenylethyl)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71244622
4-[1-[7-(3-Methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 77993910

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1cc(-c2cc(OC)c(OC)c(OC)c2)cc2ncccc12.COc1cc(-c2cc(OCC3CCC(=O)NC3)c3cccnc3c2)cc(OC)c1OC.COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc(OC)c1OC.COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc(OC)c1OC.C[C@@H](Oc1cc(-c2ccccc2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of 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?
The InChIKey is GLGSMARWVAEGFC-VOEFWNCTSA-N. The full InChI is InChI=1S/3C24H26N2O5.C21H20N2O2.C20H21NO4/c2*1-14(17-12-23(27)26-13-17)31-20-9-15(8-19-18(20)6-5-7-25-19)16-10-21(28-2)24(30-4)22(11-16)29-3;1-28-21-11-17(12-22(29-2)24(21)30-3)16-9-19-18(5-4-8-25-19)20(10-16)31-14-15-6-7-23(27)26-13-15;1-14(17-12-21(24)23-13-17)25-20-11-16(15-6-3-2-4-7-15)10-19-18(20)8-5-9-22-19;1-5-25-17-10-13(9-16-15(17)7-6-8-21-16)14-11-18(22-2)20(24-4)19(12-14)23-3/h2*5-11,14,17H,12-13H2,1-4H3,(H,26,27);4-5,8-12,15H,6-7,13-14H2,1-3H3,(H,26,27);2-11,14,17H,12-13H2,1H3,(H,23,24);6-12H,5H2,1-4H3/t2*14-,17-;;14-,17-;/m11.1./s1.
What are the key properties of 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?
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 has a molecular weight of 1939.24 g/mol, XLogP of 19.63, 31 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158290336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).