2-[3-(1,1-difluoroethoxy)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-1-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]ethanone;N,2-diphenylquinoline-8-carboxamide;N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-8-carboxamide;2-phenyl-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide

C144H123F6N19O13S4 — CID 158969133

IUPAC2-[3-(1,1-difluoroethoxy)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-1-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]ethanone;N,2-diphenylquinoline-8-carboxamide;N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-8-carboxamide;2-phenyl-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide
SMILESCC(F)(F)Oc1cccc(-c2ccc3cccc(C(=O)Nc4ncc(CN5CCOCC5)s4)c3n2)c1.CC(F)(F)c1cccc(-c2ccc3cccc(C(=O)Nc4ncc(CN5CCOCC5)s4)c3n2)c1.CC(F)(F)c1cccc(-c2ccc3cccc(CC(=O)c4cccc(OC[C@@H](O)CO)c4)c3n2)c1.O=C(Nc1ccccc1)c1cccc2ccc(-c3ccccc3)nc12.O=C(Nc1nc(CN2CCOCC2)cs1)c1cccc2ccc(-c3cccnc3)nc12.O=C(Nc1nccs1)c1cccc2ccc(-c3ccccc3)nc12
InChIInChI=1S/C28H25F2NO4.C26H24F2N4O3S.C26H24F2N4O2S.C23H21N5O2S.C22H16N2O.C19H13N3OS/c1-28(29,30)22-9-3-6-19(13-22)25-12-11-18-5-2-8-21(27(18)31-25)15-26(34)20-7-4-10-24(14-20)35-17-23(33)16-32;1-26(27,28)35-19-6-2-5-18(14-19)22-9-8-17-4-3-7-21(23(17)30-22)24(33)31-25-29-15-20(36-25)16-32-10-12-34-13-11-32;1-26(27,28)19-6-2-5-18(14-19)22-9-8-17-4-3-7-21(23(17)30-22)24(33)31-25-29-15-20(35-25)16-32-10-12-34-13-11-32;29-22(27-23-25-18(15-31-23)14-28-9-11-30-12-10-28)19-5-1-3-16-6-7-20(26-21(16)19)17-4-2-8-24-13-17;25-22(23-18-11-5-2-6-12-18)19-13-7-10-17-14-15-20(24-21(17)19)16-8-3-1-4-9-16;23-18(22-19-20-11-12-24-19)15-8-4-7-14-9-10-16(21-17(14)15)13-5-2-1-3-6-13/h2-14,23,32-33H,15-17H2,1H3;2-9,14-15H,10-13,16H2,1H3,(H,29,31,33);2-9,14-15H,10-13,16H2,1H3,(H,29,31,33);1-8,13,15H,9-12,14H2,(H,25,27,29);1-15H,(H,23,25);1-12H,(H,20,22,23)/t23-;;;;;/m0...../s1
InChIKeyJNORVHMOPSCTSA-TUXSZDOYSA-N
MW2569.94 g/mol
LogP29.76
Rot. Bonds33

About 2-[3-(1,1-difluoroethoxy)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-1-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]ethanone;N,2-diphenylquinoline-8-carboxamide;N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-8-carboxamide;2-phenyl-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide

2-[3-(1,1-difluoroethoxy)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-1-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]ethanone;N,2-diphenylquinoline-8-carboxamide;N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-8-carboxamide;2-phenyl-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide (PubChem CID 158969133) has the molecular formula C144H123F6N19O13S4 and a molecular weight of 2569.94 g/mol. Its IUPAC name is 2-[3-(1,1-difluoroethoxy)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-1-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]ethanone;N,2-diphenylquinoline-8-carboxamide;N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-8-carboxamide;2-phenyl-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide.

Molecular Properties

Compound Name2-[3-(1,1-difluoroethoxy)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-1-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]ethanone;N,2-diphenylquinoline-8-carboxamide;N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-8-carboxamide;2-phenyl-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide
PubChem CID158969133
Molecular FormulaC144H123F6N19O13S4
Molecular Weight2569.94 g/mol
Exact Mass2567.83
IUPAC Name2-[3-(1,1-difluoroethoxy)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-1-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]ethanone;N,2-diphenylquinoline-8-carboxamide;N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-8-carboxamide;2-phenyl-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide
SMILESCC(F)(F)Oc1cccc(-c2ccc3cccc(C(=O)Nc4ncc(CN5CCOCC5)s4)c3n2)c1.CC(F)(F)c1cccc(-c2ccc3cccc(C(=O)Nc4ncc(CN5CCOCC5)s4)c3n2)c1.CC(F)(F)c1cccc(-c2ccc3cccc(CC(=O)c4cccc(OC[C@@H](O)CO)c4)c3n2)c1.O=C(Nc1ccccc1)c1cccc2ccc(-c3ccccc3)nc12.O=C(Nc1nc(CN2CCOCC2)cs1)c1cccc2ccc(-c3cccnc3)nc12.O=C(Nc1nccs1)c1cccc2ccc(-c3ccccc3)nc12
InChIInChI=1S/C28H25F2NO4.C26H24F2N4O3S.C26H24F2N4O2S.C23H21N5O2S.C22H16N2O.C19H13N3OS/c1-28(29,30)22-9-3-6-19(13-22)25-12-11-18-5-2-8-21(27(18)31-25)15-26(34)20-7-4-10-24(14-20)35-17-23(33)16-32;1-26(27,28)35-19-6-2-5-18(14-19)22-9-8-17-4-3-7-21(23(17)30-22)24(33)31-25-29-15-20(36-25)16-32-10-12-34-13-11-32;1-26(27,28)19-6-2-5-18(14-19)22-9-8-17-4-3-7-21(23(17)30-22)24(33)31-25-29-15-20(35-25)16-32-10-12-34-13-11-32;29-22(27-23-25-18(15-31-23)14-28-9-11-30-12-10-28)19-5-1-3-16-6-7-20(26-21(16)19)17-4-2-8-24-13-17;25-22(23-18-11-5-2-6-12-18)19-13-7-10-17-14-15-20(24-21(17)19)16-8-3-1-4-9-16;23-18(22-19-20-11-12-24-19)15-8-4-7-14-9-10-16(21-17(14)15)13-5-2-1-3-6-13/h2-14,23,32-33H,15-17H2,1H3;2-9,14-15H,10-13,16H2,1H3,(H,29,31,33);2-9,14-15H,10-13,16H2,1H3,(H,29,31,33);1-8,13,15H,9-12,14H2,(H,25,27,29);1-15H,(H,23,25);1-12H,(H,20,22,23)/t23-;;;;;/m0...../s1
InChIKeyJNORVHMOPSCTSA-TUXSZDOYSA-N
XLogP29.76
TPSA400.69 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds33
Heavy Atoms186
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002569.94
LogP ≤ 529.76
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Analyze 2-[3-(1,1-difluoroethoxy)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-1-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]ethanone;N,2-diphenylquinoline-8-carboxamide;N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-8-carboxamide;2-phenyl-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,1-difluoroethoxy)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-1-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]ethanone;N,2-diphenylquinoline-8-carboxamide;N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-8-carboxamide;2-phenyl-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide?
The IUPAC name of 2-[3-(1,1-difluoroethoxy)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-1-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]ethanone;N,2-diphenylquinoline-8-carboxamide;N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-8-carboxamide;2-phenyl-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide (CID 158969133) is 2-[3-(1,1-difluoroethoxy)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-1-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]ethanone;N,2-diphenylquinoline-8-carboxamide;N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-8-carboxamide;2-phenyl-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide.
What is the SMILES notation for 2-[3-(1,1-difluoroethoxy)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-1-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]ethanone;N,2-diphenylquinoline-8-carboxamide;N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-8-carboxamide;2-phenyl-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide?
The canonical SMILES for 2-[3-(1,1-difluoroethoxy)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-1-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]ethanone;N,2-diphenylquinoline-8-carboxamide;N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-8-carboxamide;2-phenyl-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide is CC(F)(F)Oc1cccc(-c2ccc3cccc(C(=O)Nc4ncc(CN5CCOCC5)s4)c3n2)c1.CC(F)(F)c1cccc(-c2ccc3cccc(C(=O)Nc4ncc(CN5CCOCC5)s4)c3n2)c1.CC(F)(F)c1cccc(-c2ccc3cccc(CC(=O)c4cccc(OC[C@@H](O)CO)c4)c3n2)c1.O=C(Nc1ccccc1)c1cccc2ccc(-c3ccccc3)nc12.O=C(Nc1nc(CN2CCOCC2)cs1)c1cccc2ccc(-c3cccnc3)nc12.O=C(Nc1nccs1)c1cccc2ccc(-c3ccccc3)nc12.
What is the InChIKey of 2-[3-(1,1-difluoroethoxy)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-1-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]ethanone;N,2-diphenylquinoline-8-carboxamide;N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-8-carboxamide;2-phenyl-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide?
The InChIKey is JNORVHMOPSCTSA-TUXSZDOYSA-N. The full InChI is InChI=1S/C28H25F2NO4.C26H24F2N4O3S.C26H24F2N4O2S.C23H21N5O2S.C22H16N2O.C19H13N3OS/c1-28(29,30)22-9-3-6-19(13-22)25-12-11-18-5-2-8-21(27(18)31-25)15-26(34)20-7-4-10-24(14-20)35-17-23(33)16-32;1-26(27,28)35-19-6-2-5-18(14-19)22-9-8-17-4-3-7-21(23(17)30-22)24(33)31-25-29-15-20(36-25)16-32-10-12-34-13-11-32;1-26(27,28)19-6-2-5-18(14-19)22-9-8-17-4-3-7-21(23(17)30-22)24(33)31-25-29-15-20(35-25)16-32-10-12-34-13-11-32;29-22(27-23-25-18(15-31-23)14-28-9-11-30-12-10-28)19-5-1-3-16-6-7-20(26-21(16)19)17-4-2-8-24-13-17;25-22(23-18-11-5-2-6-12-18)19-13-7-10-17-14-15-20(24-21(17)19)16-8-3-1-4-9-16;23-18(22-19-20-11-12-24-19)15-8-4-7-14-9-10-16(21-17(14)15)13-5-2-1-3-6-13/h2-14,23,32-33H,15-17H2,1H3;2-9,14-15H,10-13,16H2,1H3,(H,29,31,33);2-9,14-15H,10-13,16H2,1H3,(H,29,31,33);1-8,13,15H,9-12,14H2,(H,25,27,29);1-15H,(H,23,25);1-12H,(H,20,22,23)/t23-;;;;;/m0...../s1.
What are the key properties of 2-[3-(1,1-difluoroethoxy)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-1-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]ethanone;N,2-diphenylquinoline-8-carboxamide;N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-8-carboxamide;2-phenyl-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide?
2-[3-(1,1-difluoroethoxy)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-1-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]ethanone;N,2-diphenylquinoline-8-carboxamide;N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-8-carboxamide;2-phenyl-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide has a molecular weight of 2569.94 g/mol, XLogP of 29.76, 33 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,1-difluoroethoxy)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-8-carboxamide;2-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-1-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]ethanone;N,2-diphenylquinoline-8-carboxamide;N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-8-carboxamide;2-phenyl-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide is sourced from PubChem (CID 158969133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).