(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

C92H92F3N11O12 — CID 161436358

IUPAC(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
SMILESCOc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)ccc1C(F)(F)F.COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cnc1OC.C[C@@H](Oc1cc(-c2ccc3c(c2)CNCC3)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2cnc3c(c2)CCCO3)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C24H25N3O2.C23H21F3N2O3.C23H23N3O3.C22H23N3O4/c1-15(19-12-24(28)27-14-19)29-23-11-18(10-22-21(23)3-2-7-26-22)17-5-4-16-6-8-25-13-20(16)9-17;1-13(16-11-22(29)28-12-16)31-20-10-15(8-19-17(20)4-3-7-27-19)14-5-6-18(23(24,25)26)21(9-14)30-2;1-14(17-11-22(27)25-12-17)29-21-10-16(9-20-19(21)5-2-6-24-20)18-8-15-4-3-7-28-23(15)26-13-18;1-13(15-10-21(26)24-11-15)29-19-8-14(7-18-17(19)5-4-6-23-18)16-9-20(27-2)22(28-3)25-12-16/h2-5,7,9-11,15,19,25H,6,8,12-14H2,1H3,(H,27,28);3-10,13,16H,11-12H2,1-2H3,(H,28,29);2,5-6,8-10,13-14,17H,3-4,7,11-12H2,1H3,(H,25,27);4-9,12-13,15H,10-11H2,1-3H3,(H,24,26)/t15-,19-;13-,16-;14-,17-;13-,15-/m1111/s1
InChIKeyVYRRYKASIDJJOY-LTBIVSQOSA-N
MW1600.81 g/mol
LogP15.03
Rot. Bonds19

About (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

(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 (PubChem CID 161436358) has the molecular formula C92H92F3N11O12 and a molecular weight of 1600.81 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID161436358
Molecular FormulaC92H92F3N11O12
Molecular Weight1600.81 g/mol
Exact Mass1599.69
IUPAC Name(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
SMILESCOc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)ccc1C(F)(F)F.COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cnc1OC.C[C@@H](Oc1cc(-c2ccc3c(c2)CNCC3)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2cnc3c(c2)CCCO3)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C24H25N3O2.C23H21F3N2O3.C23H23N3O3.C22H23N3O4/c1-15(19-12-24(28)27-14-19)29-23-11-18(10-22-21(23)3-2-7-26-22)17-5-4-16-6-8-25-13-20(16)9-17;1-13(16-11-22(29)28-12-16)31-20-10-15(8-19-17(20)4-3-7-27-19)14-5-6-18(23(24,25)26)21(9-14)30-2;1-14(17-11-22(27)25-12-17)29-21-10-16(9-20-19(21)5-2-6-24-20)18-8-15-4-3-7-28-23(15)26-13-18;1-13(15-10-21(26)24-11-15)29-19-8-14(7-18-17(19)5-4-6-23-18)16-9-20(27-2)22(28-3)25-12-16/h2-5,7,9-11,15,19,25H,6,8,12-14H2,1H3,(H,27,28);3-10,13,16H,11-12H2,1-2H3,(H,28,29);2,5-6,8-10,13-14,17H,3-4,7,11-12H2,1H3,(H,25,27);4-9,12-13,15H,10-11H2,1-3H3,(H,24,26)/t15-,19-;13-,16-;14-,17-;13-,15-/m1111/s1
InChIKeyVYRRYKASIDJJOY-LTBIVSQOSA-N
XLogP15.03
TPSA279.61 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms118
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001600.81
LogP ≤ 515.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)ccc1C(F)(F)F.COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cnc1OC.C[C@@H](Oc1cc(-c2ccc3c(c2)CNCC3)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2cnc3c(c2)CCCO3)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (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?
The InChIKey is VYRRYKASIDJJOY-LTBIVSQOSA-N. The full InChI is InChI=1S/C24H25N3O2.C23H21F3N2O3.C23H23N3O3.C22H23N3O4/c1-15(19-12-24(28)27-14-19)29-23-11-18(10-22-21(23)3-2-7-26-22)17-5-4-16-6-8-25-13-20(16)9-17;1-13(16-11-22(29)28-12-16)31-20-10-15(8-19-17(20)4-3-7-27-19)14-5-6-18(23(24,25)26)21(9-14)30-2;1-14(17-11-22(27)25-12-17)29-21-10-16(9-20-19(21)5-2-6-24-20)18-8-15-4-3-7-28-23(15)26-13-18;1-13(15-10-21(26)24-11-15)29-19-8-14(7-18-17(19)5-4-6-23-18)16-9-20(27-2)22(28-3)25-12-16/h2-5,7,9-11,15,19,25H,6,8,12-14H2,1H3,(H,27,28);3-10,13,16H,11-12H2,1-2H3,(H,28,29);2,5-6,8-10,13-14,17H,3-4,7,11-12H2,1H3,(H,25,27);4-9,12-13,15H,10-11H2,1-3H3,(H,24,26)/t15-,19-;13-,16-;14-,17-;13-,15-/m1111/s1.
What are the key properties of (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?
(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 has a molecular weight of 1600.81 g/mol, XLogP of 15.03, 19 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 161436358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).