N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-[(E)-2-phenylethenyl]-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-phenyl-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;2-[3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetonitrile

C100H92F6N22O11 — CID 160648168

IUPACN-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-[(E)-2-phenylethenyl]-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-phenyl-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;2-[3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetonitrile
SMILESCNC(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1-c1ccccc1.CNC(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1/C=C/c1ccccc1.CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)CCC(=O)N3)ncc1C(F)(F)F.N#CCc1cccc(Nc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1
InChIInChI=1S/C29H29N5O4.C27H27N5O4.C22H19F3N6O2.C22H17F3N6O/c1-30-28(35)22-12-8-9-13-23(22)33-27-20(15-14-19-10-6-5-7-11-19)18-31-29(34-27)32-21-16-24(36-2)26(38-4)25(17-21)37-3;1-28-26(33)19-12-8-9-13-21(19)31-25-20(17-10-6-5-7-11-17)16-29-27(32-25)30-18-14-22(34-2)24(36-4)23(15-18)35-3;1-26-20(33)14-4-2-3-5-17(14)30-19-15(22(23,24)25)11-27-21(31-19)28-13-7-8-16-12(10-13)6-9-18(32)29-16;23-22(24,25)17-12-27-21(29-16-5-6-18-14(11-16)4-7-19(32)30-18)31-20(17)28-15-3-1-2-13(10-15)8-9-26/h5-18H,1-4H3,(H,30,35)(H2,31,32,33,34);5-16H,1-4H3,(H,28,33)(H2,29,30,31,32);2-5,7-8,10-11H,6,9H2,1H3,(H,26,33)(H,29,32)(H2,27,28,30,31);1-3,5-6,10-12H,4,7-8H2,(H,30,32)(H2,27,28,29,31)/b15-14+;;;
InChIKeyRKBJLEQJJVPSRU-RBIFHYOVSA-N
MW1891.97 g/mol
LogP19.70
Rot. Bonds29

About N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-[(E)-2-phenylethenyl]-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-phenyl-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;2-[3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetonitrile

N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-[(E)-2-phenylethenyl]-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-phenyl-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;2-[3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetonitrile (PubChem CID 160648168) has the molecular formula C100H92F6N22O11 and a molecular weight of 1891.97 g/mol. Its IUPAC name is N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-[(E)-2-phenylethenyl]-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-phenyl-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;2-[3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetonitrile.

Molecular Properties

Compound NameN-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-[(E)-2-phenylethenyl]-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-phenyl-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;2-[3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetonitrile
PubChem CID160648168
Molecular FormulaC100H92F6N22O11
Molecular Weight1891.97 g/mol
Exact Mass1890.72
IUPAC NameN-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-[(E)-2-phenylethenyl]-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-phenyl-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;2-[3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetonitrile
SMILESCNC(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1-c1ccccc1.CNC(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1/C=C/c1ccccc1.CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)CCC(=O)N3)ncc1C(F)(F)F.N#CCc1cccc(Nc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1
InChIInChI=1S/C29H29N5O4.C27H27N5O4.C22H19F3N6O2.C22H17F3N6O/c1-30-28(35)22-12-8-9-13-23(22)33-27-20(15-14-19-10-6-5-7-11-19)18-31-29(34-27)32-21-16-24(36-2)26(38-4)25(17-21)37-3;1-28-26(33)19-12-8-9-13-21(19)31-25-20(17-10-6-5-7-11-17)16-29-27(32-25)30-18-14-22(34-2)24(36-4)23(15-18)35-3;1-26-20(33)14-4-2-3-5-17(14)30-19-15(22(23,24)25)11-27-21(31-19)28-13-7-8-16-12(10-13)6-9-18(32)29-16;23-22(24,25)17-12-27-21(29-16-5-6-18-14(11-16)4-7-19(32)30-18)31-20(17)28-15-3-1-2-13(10-15)8-9-26/h5-18H,1-4H3,(H,30,35)(H2,31,32,33,34);5-16H,1-4H3,(H,28,33)(H2,29,30,31,32);2-5,7-8,10-11H,6,9H2,1H3,(H,26,33)(H,29,32)(H2,27,28,30,31);1-3,5-6,10-12H,4,7-8H2,(H,30,32)(H2,27,28,29,31)/b15-14+;;;
InChIKeyRKBJLEQJJVPSRU-RBIFHYOVSA-N
XLogP19.70
TPSA424.03 Ų
H-Bond Donors13
H-Bond Acceptors28
Rotatable Bonds29
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001891.97
LogP ≤ 519.70
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1028

Analyze N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-[(E)-2-phenylethenyl]-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-phenyl-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;2-[3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-[(E)-2-phenylethenyl]-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-phenyl-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;2-[3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetonitrile?
The IUPAC name of N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-[(E)-2-phenylethenyl]-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-phenyl-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;2-[3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetonitrile (CID 160648168) is N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-[(E)-2-phenylethenyl]-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-phenyl-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;2-[3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetonitrile.
What is the SMILES notation for N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-[(E)-2-phenylethenyl]-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-phenyl-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;2-[3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetonitrile?
The canonical SMILES for N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-[(E)-2-phenylethenyl]-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-phenyl-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;2-[3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetonitrile is CNC(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1-c1ccccc1.CNC(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1/C=C/c1ccccc1.CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)CCC(=O)N3)ncc1C(F)(F)F.N#CCc1cccc(Nc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1.
What is the InChIKey of N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-[(E)-2-phenylethenyl]-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-phenyl-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;2-[3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetonitrile?
The InChIKey is RKBJLEQJJVPSRU-RBIFHYOVSA-N. The full InChI is InChI=1S/C29H29N5O4.C27H27N5O4.C22H19F3N6O2.C22H17F3N6O/c1-30-28(35)22-12-8-9-13-23(22)33-27-20(15-14-19-10-6-5-7-11-19)18-31-29(34-27)32-21-16-24(36-2)26(38-4)25(17-21)37-3;1-28-26(33)19-12-8-9-13-21(19)31-25-20(17-10-6-5-7-11-17)16-29-27(32-25)30-18-14-22(34-2)24(36-4)23(15-18)35-3;1-26-20(33)14-4-2-3-5-17(14)30-19-15(22(23,24)25)11-27-21(31-19)28-13-7-8-16-12(10-13)6-9-18(32)29-16;23-22(24,25)17-12-27-21(29-16-5-6-18-14(11-16)4-7-19(32)30-18)31-20(17)28-15-3-1-2-13(10-15)8-9-26/h5-18H,1-4H3,(H,30,35)(H2,31,32,33,34);5-16H,1-4H3,(H,28,33)(H2,29,30,31,32);2-5,7-8,10-11H,6,9H2,1H3,(H,26,33)(H,29,32)(H2,27,28,30,31);1-3,5-6,10-12H,4,7-8H2,(H,30,32)(H2,27,28,29,31)/b15-14+;;;.
What are the key properties of N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-[(E)-2-phenylethenyl]-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-phenyl-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;2-[3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetonitrile?
N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-[(E)-2-phenylethenyl]-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-phenyl-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;2-[3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetonitrile has a molecular weight of 1891.97 g/mol, XLogP of 19.70, 29 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-[(E)-2-phenylethenyl]-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[5-phenyl-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide;2-[3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetonitrile is sourced from PubChem (CID 160648168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).