1-[2-(2-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]-2-(3-methylphenyl)ethanone;2-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]quinoline-5-carboxamide;2-(3-methylphenyl)-1-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]ethanone

C116H96F3N21O10 — CID 160857177

IUPAC1-[2-(2-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]-2-(3-methylphenyl)ethanone;2-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]quinoline-5-carboxamide;2-(3-methylphenyl)-1-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]ethanone
SMILESCNCc1cc(Oc2ccc3c(C(=O)Nc4cccc(C(F)(F)F)c4)cccc3n2)ncn1.Cc1cccc(CC(=O)c2cccc3nc(Oc4cc(N)ncn4)ccc23)c1.Cc1cccc(CC(=O)c2cccc3nc(Oc4ccnc(N)n4)ccc23)c1.Cc1cccc(CC(=O)c2cccc3nc(Oc4ncnc5c4CCNC5)ccc23)c1.Cc1cccc(CC(=O)c2cccc3nc(Oc4ncnc5c4CNC5)ccc23)c1
InChIInChI=1S/C25H22N4O2.C24H20N4O2.C23H18F3N5O2.2C22H18N4O2/c1-16-4-2-5-17(12-16)13-23(30)19-6-3-7-21-18(19)8-9-24(29-21)31-25-20-10-11-26-14-22(20)27-15-28-25;1-15-4-2-5-16(10-15)11-22(29)18-6-3-7-20-17(18)8-9-23(28-20)30-24-19-12-25-13-21(19)26-14-27-24;1-27-12-16-11-21(29-13-28-16)33-20-9-8-17-18(6-3-7-19(17)31-20)22(32)30-15-5-2-4-14(10-15)23(24,25)26;1-14-4-2-5-15(10-14)11-19(27)17-6-3-7-18-16(17)8-9-21(26-18)28-22-12-20(23)24-13-25-22;1-14-4-2-5-15(12-14)13-19(27)17-6-3-7-18-16(17)8-9-20(25-18)28-21-10-11-24-22(23)26-21/h2-9,12,15,26H,10-11,13-14H2,1H3;2-10,14,25H,11-13H2,1H3;2-11,13,27H,12H2,1H3,(H,30,32);2-10,12-13H,11H2,1H3,(H2,23,24,25);2-12H,13H2,1H3,(H2,23,24,26)
InChIKeySJZWYOAFUHRFOI-UHFFFAOYSA-N
MW2001.17 g/mol
LogP21.42
Rot. Bonds26

About 1-[2-(2-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]-2-(3-methylphenyl)ethanone;2-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]quinoline-5-carboxamide;2-(3-methylphenyl)-1-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]ethanone

1-[2-(2-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]-2-(3-methylphenyl)ethanone;2-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]quinoline-5-carboxamide;2-(3-methylphenyl)-1-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]ethanone (PubChem CID 160857177) has the molecular formula C116H96F3N21O10 and a molecular weight of 2001.17 g/mol. Its IUPAC name is 1-[2-(2-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]-2-(3-methylphenyl)ethanone;2-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]quinoline-5-carboxamide;2-(3-methylphenyl)-1-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]-2-(3-methylphenyl)ethanone;2-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]quinoline-5-carboxamide;2-(3-methylphenyl)-1-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]ethanone
PubChem CID160857177
Molecular FormulaC116H96F3N21O10
Molecular Weight2001.17 g/mol
Exact Mass1999.76
IUPAC Name1-[2-(2-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]-2-(3-methylphenyl)ethanone;2-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]quinoline-5-carboxamide;2-(3-methylphenyl)-1-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]ethanone
SMILESCNCc1cc(Oc2ccc3c(C(=O)Nc4cccc(C(F)(F)F)c4)cccc3n2)ncn1.Cc1cccc(CC(=O)c2cccc3nc(Oc4cc(N)ncn4)ccc23)c1.Cc1cccc(CC(=O)c2cccc3nc(Oc4ccnc(N)n4)ccc23)c1.Cc1cccc(CC(=O)c2cccc3nc(Oc4ncnc5c4CCNC5)ccc23)c1.Cc1cccc(CC(=O)c2cccc3nc(Oc4ncnc5c4CNC5)ccc23)c1
InChIInChI=1S/C25H22N4O2.C24H20N4O2.C23H18F3N5O2.2C22H18N4O2/c1-16-4-2-5-17(12-16)13-23(30)19-6-3-7-21-18(19)8-9-24(29-21)31-25-20-10-11-26-14-22(20)27-15-28-25;1-15-4-2-5-16(10-15)11-22(29)18-6-3-7-20-17(18)8-9-23(28-20)30-24-19-12-25-13-21(19)26-14-27-24;1-27-12-16-11-21(29-13-28-16)33-20-9-8-17-18(6-3-7-19(17)31-20)22(32)30-15-5-2-4-14(10-15)23(24,25)26;1-14-4-2-5-15(10-14)11-19(27)17-6-3-7-18-16(17)8-9-21(26-18)28-22-12-20(23)24-13-25-22;1-14-4-2-5-15(12-14)13-19(27)17-6-3-7-18-16(17)8-9-20(25-18)28-21-10-11-24-22(23)26-21/h2-9,12,15,26H,10-11,13-14H2,1H3;2-10,14,25H,11-13H2,1H3;2-11,13,27H,12H2,1H3,(H,30,32);2-10,12-13H,11H2,1H3,(H2,23,24,25);2-12H,13H2,1H3,(H2,23,24,26)
InChIKeySJZWYOAFUHRFOI-UHFFFAOYSA-N
XLogP21.42
TPSA425.01 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002001.17
LogP ≤ 521.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze 1-[2-(2-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]-2-(3-methylphenyl)ethanone;2-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]quinoline-5-carboxamide;2-(3-methylphenyl)-1-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]ethanone with MolForge

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Related Compounds

2-ethoxy-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide
CID 44469609
N-(3-(3-(4-methoxyphenyl)-1-(6-(methylamino)pyrimidin-4-yl)-1H-indol-6-yl)phenyl)-3-morpholino-5-(trifluoromethyl)benzamide
CID 50992088
N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2-ethoxyquinoline-5-carboxamide
CID 58228389
5-[(6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)oxy]-N-[3-(propan-2-ylcarbamoyl)-5-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394010
N-(3-(isopropylcarbamoyl)-5-(trifluoromethyl)phenyl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)-1H-indole-1-carboxamide
CID 59394360
N-[3-(methylcarbamoyl)-5-(trifluoromethyl)phenyl]-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394503
N-[3-(methylcarbamoyl)-5-(trifluoromethyl)phenyl]-5-[(6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide
CID 59394545
N-[3-(4-methylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)naphthalene-1-carboxamide
CID 59813654
3-[2-amino-7-methoxy-8-(6-piperazin-1-yl-3-pyridinyl)quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 66898735
3-[2-amino-7-methoxy-8-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 66898836
3-[2-amino-7-methoxy-8-(2-piperazin-1-yl-4-pyridinyl)quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 66898974
3-[2-amino-7-methoxy-8-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 66900033

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]-2-(3-methylphenyl)ethanone;2-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]quinoline-5-carboxamide;2-(3-methylphenyl)-1-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]ethanone?
The IUPAC name of 1-[2-(2-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]-2-(3-methylphenyl)ethanone;2-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]quinoline-5-carboxamide;2-(3-methylphenyl)-1-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]ethanone (CID 160857177) is 1-[2-(2-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]-2-(3-methylphenyl)ethanone;2-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]quinoline-5-carboxamide;2-(3-methylphenyl)-1-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]ethanone.
What is the SMILES notation for 1-[2-(2-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]-2-(3-methylphenyl)ethanone;2-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]quinoline-5-carboxamide;2-(3-methylphenyl)-1-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]ethanone?
The canonical SMILES for 1-[2-(2-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]-2-(3-methylphenyl)ethanone;2-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]quinoline-5-carboxamide;2-(3-methylphenyl)-1-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]ethanone is CNCc1cc(Oc2ccc3c(C(=O)Nc4cccc(C(F)(F)F)c4)cccc3n2)ncn1.Cc1cccc(CC(=O)c2cccc3nc(Oc4cc(N)ncn4)ccc23)c1.Cc1cccc(CC(=O)c2cccc3nc(Oc4ccnc(N)n4)ccc23)c1.Cc1cccc(CC(=O)c2cccc3nc(Oc4ncnc5c4CCNC5)ccc23)c1.Cc1cccc(CC(=O)c2cccc3nc(Oc4ncnc5c4CNC5)ccc23)c1.
What is the InChIKey of 1-[2-(2-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]-2-(3-methylphenyl)ethanone;2-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]quinoline-5-carboxamide;2-(3-methylphenyl)-1-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]ethanone?
The InChIKey is SJZWYOAFUHRFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2.C24H20N4O2.C23H18F3N5O2.2C22H18N4O2/c1-16-4-2-5-17(12-16)13-23(30)19-6-3-7-21-18(19)8-9-24(29-21)31-25-20-10-11-26-14-22(20)27-15-28-25;1-15-4-2-5-16(10-15)11-22(29)18-6-3-7-20-17(18)8-9-23(28-20)30-24-19-12-25-13-21(19)26-14-27-24;1-27-12-16-11-21(29-13-28-16)33-20-9-8-17-18(6-3-7-19(17)31-20)22(32)30-15-5-2-4-14(10-15)23(24,25)26;1-14-4-2-5-15(10-14)11-19(27)17-6-3-7-18-16(17)8-9-21(26-18)28-22-12-20(23)24-13-25-22;1-14-4-2-5-15(12-14)13-19(27)17-6-3-7-18-16(17)8-9-20(25-18)28-21-10-11-24-22(23)26-21/h2-9,12,15,26H,10-11,13-14H2,1H3;2-10,14,25H,11-13H2,1H3;2-11,13,27H,12H2,1H3,(H,30,32);2-10,12-13H,11H2,1H3,(H2,23,24,25);2-12H,13H2,1H3,(H2,23,24,26).
What are the key properties of 1-[2-(2-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]-2-(3-methylphenyl)ethanone;2-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]quinoline-5-carboxamide;2-(3-methylphenyl)-1-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]ethanone?
1-[2-(2-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]-2-(3-methylphenyl)ethanone;2-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]quinoline-5-carboxamide;2-(3-methylphenyl)-1-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]ethanone has a molecular weight of 2001.17 g/mol, XLogP of 21.42, 26 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6-aminopyrimidin-4-yl)oxyquinolin-5-yl]-2-(3-methylphenyl)ethanone;1-[2-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]-2-(3-methylphenyl)ethanone;2-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]quinoline-5-carboxamide;2-(3-methylphenyl)-1-[2-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)quinolin-5-yl]ethanone is sourced from PubChem (CID 160857177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).