2-[[7-[4-[[acetyl(ethyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[5-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one

C91H90F3N15O10 — CID 159007904

IUPAC2-[[7-[4-[[acetyl(ethyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[5-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCCN(Cc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1)C(C)=O.C[C@@H](Oc1cc(-c2ccc(C(F)(F)F)cn2)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2ccc(N3CCOCC3)nc2)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2cnn(C)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C27H26N4O3.C24H26N4O3.C21H18F3N3O2.C19H20N4O2/c1-3-31(18(2)32)16-19-8-10-20(11-9-19)21-14-24-22(6-4-12-29-24)26(15-21)34-17-25-23(27(28)33)7-5-13-30-25;1-16(19-13-24(29)27-15-19)31-22-12-18(11-21-20(22)3-2-6-25-21)17-4-5-23(26-14-17)28-7-9-30-10-8-28;1-12(14-9-20(28)27-10-14)29-19-8-13(7-18-16(19)3-2-6-25-18)17-5-4-15(11-26-17)21(22,23)24;1-12(14-8-19(24)21-9-14)25-18-7-13(15-10-22-23(2)11-15)6-17-16(18)4-3-5-20-17/h4-15H,3,16-17H2,1-2H3,(H2,28,33);2-6,11-12,14,16,19H,7-10,13,15H2,1H3,(H,27,29);2-8,11-12,14H,9-10H2,1H3,(H,27,28);3-7,10-12,14H,8-9H2,1-2H3,(H,21,24)/t;16-,19-;2*12-,14-/m.111/s1
InChIKeyJSDMFPOLXZWGFL-TVFJDHAFSA-N
MW1610.81 g/mol
LogP14.14
Rot. Bonds21

About 2-[[7-[4-[[acetyl(ethyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[5-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one

2-[[7-[4-[[acetyl(ethyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[5-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 159007904) has the molecular formula C91H90F3N15O10 and a molecular weight of 1610.81 g/mol. Its IUPAC name is 2-[[7-[4-[[acetyl(ethyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[5-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name2-[[7-[4-[[acetyl(ethyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[5-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID159007904
Molecular FormulaC91H90F3N15O10
Molecular Weight1610.81 g/mol
Exact Mass1609.69
IUPAC Name2-[[7-[4-[[acetyl(ethyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[5-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCCN(Cc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1)C(C)=O.C[C@@H](Oc1cc(-c2ccc(C(F)(F)F)cn2)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2ccc(N3CCOCC3)nc2)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2cnn(C)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C27H26N4O3.C24H26N4O3.C21H18F3N3O2.C19H20N4O2/c1-3-31(18(2)32)16-19-8-10-20(11-9-19)21-14-24-22(6-4-12-29-24)26(15-21)34-17-25-23(27(28)33)7-5-13-30-25;1-16(19-13-24(29)27-15-19)31-22-12-18(11-21-20(22)3-2-6-25-21)17-4-5-23(26-14-17)28-7-9-30-10-8-28;1-12(14-9-20(28)27-10-14)29-19-8-13(7-18-16(19)3-2-6-25-18)17-5-4-15(11-26-17)21(22,23)24;1-12(14-8-19(24)21-9-14)25-18-7-13(15-10-22-23(2)11-15)6-17-16(18)4-3-5-20-17/h4-15H,3,16-17H2,1-2H3,(H2,28,33);2-6,11-12,14,16,19H,7-10,13,15H2,1H3,(H,27,29);2-8,11-12,14H,9-10H2,1H3,(H,27,28);3-7,10-12,14H,8-9H2,1-2H3,(H,21,24)/t;16-,19-;2*12-,14-/m.111/s1
InChIKeyJSDMFPOLXZWGFL-TVFJDHAFSA-N
XLogP14.14
TPSA308.14 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms119
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001610.81
LogP ≤ 514.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 2-[[7-[4-[[acetyl(ethyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[5-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-[4-[[acetyl(ethyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[5-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 2-[[7-[4-[[acetyl(ethyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[5-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 159007904) is 2-[[7-[4-[[acetyl(ethyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[5-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 2-[[7-[4-[[acetyl(ethyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[5-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 2-[[7-[4-[[acetyl(ethyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[5-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is CCN(Cc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1)C(C)=O.C[C@@H](Oc1cc(-c2ccc(C(F)(F)F)cn2)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2ccc(N3CCOCC3)nc2)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2cnn(C)c2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of 2-[[7-[4-[[acetyl(ethyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[5-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is JSDMFPOLXZWGFL-TVFJDHAFSA-N. The full InChI is InChI=1S/C27H26N4O3.C24H26N4O3.C21H18F3N3O2.C19H20N4O2/c1-3-31(18(2)32)16-19-8-10-20(11-9-19)21-14-24-22(6-4-12-29-24)26(15-21)34-17-25-23(27(28)33)7-5-13-30-25;1-16(19-13-24(29)27-15-19)31-22-12-18(11-21-20(22)3-2-6-25-21)17-4-5-23(26-14-17)28-7-9-30-10-8-28;1-12(14-9-20(28)27-10-14)29-19-8-13(7-18-16(19)3-2-6-25-18)17-5-4-15(11-26-17)21(22,23)24;1-12(14-8-19(24)21-9-14)25-18-7-13(15-10-22-23(2)11-15)6-17-16(18)4-3-5-20-17/h4-15H,3,16-17H2,1-2H3,(H2,28,33);2-6,11-12,14,16,19H,7-10,13,15H2,1H3,(H,27,29);2-8,11-12,14H,9-10H2,1H3,(H,27,28);3-7,10-12,14H,8-9H2,1-2H3,(H,21,24)/t;16-,19-;2*12-,14-/m.111/s1.
What are the key properties of 2-[[7-[4-[[acetyl(ethyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[5-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
2-[[7-[4-[[acetyl(ethyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[5-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 1610.81 g/mol, XLogP of 14.14, 21 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[4-[[acetyl(ethyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[5-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 159007904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).