5,8-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]isoquinolin-6-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinoxalin-2-amine;N-pyridin-3-ylquinolin-3-amine;N-pyridin-4-ylquinolin-3-amine;N-[2-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[3-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine

C118H87F15N26O4 — CID 160750272

IUPAC5,8-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]isoquinolin-6-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinoxalin-2-amine;N-pyridin-3-ylquinolin-3-amine;N-pyridin-4-ylquinolin-3-amine;N-[2-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[3-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine
SMILESCc1cc(Nc2ccc(C(F)(F)F)cn2)c(C)c2ccncc12.Cc1cc(OC(F)(F)F)ccc1Nc1cnc2ccccc2n1.FC(F)(F)Oc1ccc(Nc2cnc3ccccc3n2)cc1.FC(F)(F)Oc1cccc(Nc2cnc3ccccc3n2)c1.FC(F)(F)Oc1ccccc1Nc1cnc2ccccc2n1.c1ccc2nc(Nc3cnccn3)cnc2c1.c1ccc2ncc(Nc3ccncc3)cc2c1.c1cncc(Nc2cnc3ccccc3c2)c1
InChIInChI=1S/C17H14F3N3.C16H12F3N3O.3C15H10F3N3O.2C14H11N3.C12H9N5/c1-10-7-15(11(2)13-5-6-21-9-14(10)13)23-16-4-3-12(8-22-16)17(18,19)20;1-10-8-11(23-16(17,18)19)6-7-12(10)21-15-9-20-13-4-2-3-5-14(13)22-15;16-15(17,18)22-11-5-3-4-10(8-11)20-14-9-19-12-6-1-2-7-13(12)21-14;16-15(17,18)22-13-8-4-3-7-12(13)21-14-9-19-10-5-1-2-6-11(10)20-14;16-15(17,18)22-11-7-5-10(6-8-11)20-14-9-19-12-3-1-2-4-13(12)21-14;1-2-6-14-11(4-1)8-13(10-16-14)17-12-5-3-7-15-9-12;1-2-4-14-11(3-1)9-13(10-16-14)17-12-5-7-15-8-6-12;1-2-4-10-9(3-1)15-8-12(16-10)17-11-7-13-5-6-14-11/h3-9H,1-2H3,(H,22,23);2-9H,1H3,(H,21,22);3*1-9H,(H,20,21);1-10,17H;1-10H,(H,15,17);1-8H,(H,14,16,17)
InChIKeyRWSMBBQINDOQGC-UHFFFAOYSA-N
MW2218.14 g/mol
LogP31.32
Rot. Bonds20

About 5,8-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]isoquinolin-6-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinoxalin-2-amine;N-pyridin-3-ylquinolin-3-amine;N-pyridin-4-ylquinolin-3-amine;N-[2-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[3-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine

5,8-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]isoquinolin-6-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinoxalin-2-amine;N-pyridin-3-ylquinolin-3-amine;N-pyridin-4-ylquinolin-3-amine;N-[2-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[3-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine (PubChem CID 160750272) has the molecular formula C118H87F15N26O4 and a molecular weight of 2218.14 g/mol. Its IUPAC name is 5,8-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]isoquinolin-6-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinoxalin-2-amine;N-pyridin-3-ylquinolin-3-amine;N-pyridin-4-ylquinolin-3-amine;N-[2-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[3-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine.

Molecular Properties

Compound Name5,8-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]isoquinolin-6-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinoxalin-2-amine;N-pyridin-3-ylquinolin-3-amine;N-pyridin-4-ylquinolin-3-amine;N-[2-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[3-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine
PubChem CID160750272
Molecular FormulaC118H87F15N26O4
Molecular Weight2218.14 g/mol
Exact Mass2216.72
IUPAC Name5,8-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]isoquinolin-6-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinoxalin-2-amine;N-pyridin-3-ylquinolin-3-amine;N-pyridin-4-ylquinolin-3-amine;N-[2-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[3-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine
SMILESCc1cc(Nc2ccc(C(F)(F)F)cn2)c(C)c2ccncc12.Cc1cc(OC(F)(F)F)ccc1Nc1cnc2ccccc2n1.FC(F)(F)Oc1ccc(Nc2cnc3ccccc3n2)cc1.FC(F)(F)Oc1cccc(Nc2cnc3ccccc3n2)c1.FC(F)(F)Oc1ccccc1Nc1cnc2ccccc2n1.c1ccc2nc(Nc3cnccn3)cnc2c1.c1ccc2ncc(Nc3ccncc3)cc2c1.c1cncc(Nc2cnc3ccccc3c2)c1
InChIInChI=1S/C17H14F3N3.C16H12F3N3O.3C15H10F3N3O.2C14H11N3.C12H9N5/c1-10-7-15(11(2)13-5-6-21-9-14(10)13)23-16-4-3-12(8-22-16)17(18,19)20;1-10-8-11(23-16(17,18)19)6-7-12(10)21-15-9-20-13-4-2-3-5-14(13)22-15;16-15(17,18)22-11-5-3-4-10(8-11)20-14-9-19-12-6-1-2-7-13(12)21-14;16-15(17,18)22-13-8-4-3-7-12(13)21-14-9-19-10-5-1-2-6-11(10)20-14;16-15(17,18)22-11-7-5-10(6-8-11)20-14-9-19-12-3-1-2-4-13(12)21-14;1-2-6-14-11(4-1)8-13(10-16-14)17-12-5-3-7-15-9-12;1-2-4-14-11(3-1)9-13(10-16-14)17-12-5-7-15-8-6-12;1-2-4-10-9(3-1)15-8-12(16-10)17-11-7-13-5-6-14-11/h3-9H,1-2H3,(H,22,23);2-9H,1H3,(H,21,22);3*1-9H,(H,20,21);1-10,17H;1-10H,(H,15,17);1-8H,(H,14,16,17)
InChIKeyRWSMBBQINDOQGC-UHFFFAOYSA-N
XLogP31.32
TPSA365.18 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002218.14
LogP ≤ 531.32
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Analyze 5,8-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]isoquinolin-6-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinoxalin-2-amine;N-pyridin-3-ylquinolin-3-amine;N-pyridin-4-ylquinolin-3-amine;N-[2-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[3-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine with MolForge

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Related Compounds

N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methoxy]quinazolin-2-amine
CID 163290973
N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,5-naphthyridin-3-yl)quinazolin-2-amine
CID 163290988
1-[3,4-Difluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-(3-fluorophenyl)urea;1-[3,4-difluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 89713724
1-(3-Fluorophenyl)-3-[2,3,5-trifluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]urea;1-[3-(trifluoromethyl)phenyl]-3-[2,3,5-trifluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]urea
CID 89713967
1-[3-Fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-(3-fluorophenyl)urea;1-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 89714205
1-(3-Fluorophenyl)-3-[2,4,5-trifluoro-3-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]urea;1-[3-(trifluoromethyl)phenyl]-3-[2,4,5-trifluoro-3-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]urea
CID 89714466
6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[[3-methoxy-5-(trifluoromethyl)anilino]methyl]-2-methylphenyl]pyrimido[5,4-d]pyrimidin-4-amine
CID 91493233
N-[4-fluoro-3-[4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-8-yl]phenyl]-2-[4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]piperazin-1-yl]pyrimidin-5-amine
CID 123924591
2-Amino-5-pteridin-4-yl-4-[2-(pteridin-4-ylamino)ethyl]-3-[2-[4-[[3,5,6-trifluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]phenol
CID 140219532
2-Amino-5-pteridin-4-yl-4-[2-(pteridin-4-ylamino)ethyl]-3-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]phenol
CID 140219543
2-N-[4-[2-(diethylamino)ethoxy]phenyl]-4-N-(2-methoxyphenyl)-5-quinolin-5-ylpyrimidine-2,4-diamine;ethane;2-N-[4-[2-(ethylamino)ethoxy]phenyl]-4-N-(2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 145480004
6-methyl-5-N-[3-[5-(methylideneamino)-6-[methyl(oxan-2-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1-N-[3-(trifluoromethoxy)phenyl]isoquinoline-1,5-diamine
CID 156149213

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]isoquinolin-6-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinoxalin-2-amine;N-pyridin-3-ylquinolin-3-amine;N-pyridin-4-ylquinolin-3-amine;N-[2-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[3-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine?
The IUPAC name of 5,8-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]isoquinolin-6-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinoxalin-2-amine;N-pyridin-3-ylquinolin-3-amine;N-pyridin-4-ylquinolin-3-amine;N-[2-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[3-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine (CID 160750272) is 5,8-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]isoquinolin-6-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinoxalin-2-amine;N-pyridin-3-ylquinolin-3-amine;N-pyridin-4-ylquinolin-3-amine;N-[2-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[3-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine.
What is the SMILES notation for 5,8-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]isoquinolin-6-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinoxalin-2-amine;N-pyridin-3-ylquinolin-3-amine;N-pyridin-4-ylquinolin-3-amine;N-[2-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[3-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine?
The canonical SMILES for 5,8-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]isoquinolin-6-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinoxalin-2-amine;N-pyridin-3-ylquinolin-3-amine;N-pyridin-4-ylquinolin-3-amine;N-[2-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[3-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine is Cc1cc(Nc2ccc(C(F)(F)F)cn2)c(C)c2ccncc12.Cc1cc(OC(F)(F)F)ccc1Nc1cnc2ccccc2n1.FC(F)(F)Oc1ccc(Nc2cnc3ccccc3n2)cc1.FC(F)(F)Oc1cccc(Nc2cnc3ccccc3n2)c1.FC(F)(F)Oc1ccccc1Nc1cnc2ccccc2n1.c1ccc2nc(Nc3cnccn3)cnc2c1.c1ccc2ncc(Nc3ccncc3)cc2c1.c1cncc(Nc2cnc3ccccc3c2)c1.
What is the InChIKey of 5,8-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]isoquinolin-6-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinoxalin-2-amine;N-pyridin-3-ylquinolin-3-amine;N-pyridin-4-ylquinolin-3-amine;N-[2-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[3-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine?
The InChIKey is RWSMBBQINDOQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3.C16H12F3N3O.3C15H10F3N3O.2C14H11N3.C12H9N5/c1-10-7-15(11(2)13-5-6-21-9-14(10)13)23-16-4-3-12(8-22-16)17(18,19)20;1-10-8-11(23-16(17,18)19)6-7-12(10)21-15-9-20-13-4-2-3-5-14(13)22-15;16-15(17,18)22-11-5-3-4-10(8-11)20-14-9-19-12-6-1-2-7-13(12)21-14;16-15(17,18)22-13-8-4-3-7-12(13)21-14-9-19-10-5-1-2-6-11(10)20-14;16-15(17,18)22-11-7-5-10(6-8-11)20-14-9-19-12-3-1-2-4-13(12)21-14;1-2-6-14-11(4-1)8-13(10-16-14)17-12-5-3-7-15-9-12;1-2-4-14-11(3-1)9-13(10-16-14)17-12-5-7-15-8-6-12;1-2-4-10-9(3-1)15-8-12(16-10)17-11-7-13-5-6-14-11/h3-9H,1-2H3,(H,22,23);2-9H,1H3,(H,21,22);3*1-9H,(H,20,21);1-10,17H;1-10H,(H,15,17);1-8H,(H,14,16,17).
What are the key properties of 5,8-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]isoquinolin-6-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinoxalin-2-amine;N-pyridin-3-ylquinolin-3-amine;N-pyridin-4-ylquinolin-3-amine;N-[2-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[3-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine?
5,8-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]isoquinolin-6-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinoxalin-2-amine;N-pyridin-3-ylquinolin-3-amine;N-pyridin-4-ylquinolin-3-amine;N-[2-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[3-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine has a molecular weight of 2218.14 g/mol, XLogP of 31.32, 20 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]isoquinolin-6-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinoxalin-2-amine;N-pyridin-3-ylquinolin-3-amine;N-pyridin-4-ylquinolin-3-amine;N-[2-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[3-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine is sourced from PubChem (CID 160750272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).