N-(1,4-dimethylnaphthalen-2-yl)-5-(trifluoromethyl)pyridin-2-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinolin-3-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

C120H89F15N24O4 — CID 157465784

IUPACN-(1,4-dimethylnaphthalen-2-yl)-5-(trifluoromethyl)pyridin-2-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinolin-3-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)c2ccccc12.Cc1cc(OC(F)(F)F)ccc1Nc1cnc2ccccc2n1.FC(F)(F)Oc1ccc(Nc2cnc3ccccc3n2)cc1.FC(F)(F)Oc1cccc(Nc2cnc3ccccc3n2)c1.FC(F)(F)Oc1ccccc1Nc1cnc2ccccc2n1.c1ccc2ncc(Nc3ccncc3)cc2c1.c1ccc2ncc(Nc3cnccn3)cc2c1.c1cncc(Nc2cnc3ccccc3c2)c1
InChIInChI=1S/C18H15F3N2.C16H12F3N3O.3C15H10F3N3O.2C14H11N3.C13H10N4/c1-11-9-16(12(2)15-6-4-3-5-14(11)15)23-17-8-7-13(10-22-17)18(19,20)21;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;1-2-4-12-10(3-1)7-11(8-16-12)17-13-9-14-5-6-15-13/h3-10H,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);1-9H,(H,15,17)
InChIKeyBULOZJKHWNZYFR-UHFFFAOYSA-N
MW2216.17 g/mol
LogP32.53
Rot. Bonds20

About N-(1,4-dimethylnaphthalen-2-yl)-5-(trifluoromethyl)pyridin-2-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinolin-3-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

N-(1,4-dimethylnaphthalen-2-yl)-5-(trifluoromethyl)pyridin-2-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinolin-3-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 157465784) has the molecular formula C120H89F15N24O4 and a molecular weight of 2216.17 g/mol. Its IUPAC name is N-(1,4-dimethylnaphthalen-2-yl)-5-(trifluoromethyl)pyridin-2-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinolin-3-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 NameN-(1,4-dimethylnaphthalen-2-yl)-5-(trifluoromethyl)pyridin-2-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinolin-3-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 CID157465784
Molecular FormulaC120H89F15N24O4
Molecular Weight2216.17 g/mol
Exact Mass2214.73
IUPAC NameN-(1,4-dimethylnaphthalen-2-yl)-5-(trifluoromethyl)pyridin-2-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinolin-3-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)c2ccccc12.Cc1cc(OC(F)(F)F)ccc1Nc1cnc2ccccc2n1.FC(F)(F)Oc1ccc(Nc2cnc3ccccc3n2)cc1.FC(F)(F)Oc1cccc(Nc2cnc3ccccc3n2)c1.FC(F)(F)Oc1ccccc1Nc1cnc2ccccc2n1.c1ccc2ncc(Nc3ccncc3)cc2c1.c1ccc2ncc(Nc3cnccn3)cc2c1.c1cncc(Nc2cnc3ccccc3c2)c1
InChIInChI=1S/C18H15F3N2.C16H12F3N3O.3C15H10F3N3O.2C14H11N3.C13H10N4/c1-11-9-16(12(2)15-6-4-3-5-14(11)15)23-17-8-7-13(10-22-17)18(19,20)21;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;1-2-4-12-10(3-1)7-11(8-16-12)17-13-9-14-5-6-15-13/h3-10H,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);1-9H,(H,15,17)
InChIKeyBULOZJKHWNZYFR-UHFFFAOYSA-N
XLogP32.53
TPSA339.40 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002216.17
LogP ≤ 532.53
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze N-(1,4-dimethylnaphthalen-2-yl)-5-(trifluoromethyl)pyridin-2-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinolin-3-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
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-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
5,8-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]isoquinolin-6-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinolin-3-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 157875438
bis(6-methyl-5-[[3-[9-(oxan-2-yl)purin-6-yl]-2-pyridinyl]methyl]-N-[3-(trifluoromethoxy)phenyl]isoquinolin-1-amine);6-methyl-1-N-[3-(trifluoromethoxy)phenyl]isoquinoline-1,5-diamine
CID 159026080
2-[(2,4-Dimethoxyphenyl)iminomethyl]-6-methylphenol;2-[(3,5-dimethoxyphenyl)iminomethyl]-6-methylphenol;2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-[(4,6-dimethyl-1,3,5-triazin-2-yl)iminomethyl]-6-methylphenol;2-(isoquinolin-8-yliminomethyl)-6-methylphenol;2-[(4-methoxyphenyl)iminomethyl]-6-methylphenol;2-methyl-6-(pyridin-2-yliminomethyl)phenol;2-methyl-6-(pyridin-3-yliminomethyl)phenol;2-methyl-6-(pyridin-4-yliminomethyl)phenol;2-methyl-6-(pyrimidin-2-yliminomethyl)phenol;2-methyl-6-(pyrimidin-4-yliminomethyl)phenol;2-methyl-6-(quinolin-8-yliminomethyl)phenol;2-methyl-6-(1,3,5-triazin-2-yliminomethyl)phenol;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol
CID 159448799

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylnaphthalen-2-yl)-5-(trifluoromethyl)pyridin-2-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinolin-3-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 N-(1,4-dimethylnaphthalen-2-yl)-5-(trifluoromethyl)pyridin-2-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinolin-3-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 157465784) is N-(1,4-dimethylnaphthalen-2-yl)-5-(trifluoromethyl)pyridin-2-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinolin-3-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 N-(1,4-dimethylnaphthalen-2-yl)-5-(trifluoromethyl)pyridin-2-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinolin-3-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 N-(1,4-dimethylnaphthalen-2-yl)-5-(trifluoromethyl)pyridin-2-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinolin-3-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)c2ccccc12.Cc1cc(OC(F)(F)F)ccc1Nc1cnc2ccccc2n1.FC(F)(F)Oc1ccc(Nc2cnc3ccccc3n2)cc1.FC(F)(F)Oc1cccc(Nc2cnc3ccccc3n2)c1.FC(F)(F)Oc1ccccc1Nc1cnc2ccccc2n1.c1ccc2ncc(Nc3ccncc3)cc2c1.c1ccc2ncc(Nc3cnccn3)cc2c1.c1cncc(Nc2cnc3ccccc3c2)c1.
What is the InChIKey of N-(1,4-dimethylnaphthalen-2-yl)-5-(trifluoromethyl)pyridin-2-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinolin-3-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 BULOZJKHWNZYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2.C16H12F3N3O.3C15H10F3N3O.2C14H11N3.C13H10N4/c1-11-9-16(12(2)15-6-4-3-5-14(11)15)23-17-8-7-13(10-22-17)18(19,20)21;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;1-2-4-12-10(3-1)7-11(8-16-12)17-13-9-14-5-6-15-13/h3-10H,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);1-9H,(H,15,17).
What are the key properties of N-(1,4-dimethylnaphthalen-2-yl)-5-(trifluoromethyl)pyridin-2-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinolin-3-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?
N-(1,4-dimethylnaphthalen-2-yl)-5-(trifluoromethyl)pyridin-2-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinolin-3-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 2216.17 g/mol, XLogP of 32.53, 20 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylnaphthalen-2-yl)-5-(trifluoromethyl)pyridin-2-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinolin-3-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 157465784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).