2-N-(3-amino-4-methyl-2-pyridinyl)-8-chloroquinoline-2,5-diamine;2-N-(3-amino-4-methyl-2-pyridinyl)-3-methylquinoline-2,5-diamine;8-chloro-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-(4-methyl-2-pyridinyl)quinoline-2,5-diamine;2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylquinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine;3-methyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine

C126H101Cl7F15N31O3 — CID 161036170

About 2-N-(3-amino-4-methyl-2-pyridinyl)-8-chloroquinoline-2,5-diamine;2-N-(3-amino-4-methyl-2-pyridinyl)-3-methylquinoline-2,5-diamine;8-chloro-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-(4-methyl-2-pyridinyl)quinoline-2,5-diamine;2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylquinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine;3-methyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine

2-N-(3-amino-4-methyl-2-pyridinyl)-8-chloroquinoline-2,5-diamine;2-N-(3-amino-4-methyl-2-pyridinyl)-3-methylquinoline-2,5-diamine;8-chloro-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-(4-methyl-2-pyridinyl)quinoline-2,5-diamine;2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylquinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine;3-methyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine (PubChem CID 161036170) has the molecular formula C126H101Cl7F15N31O3 and a molecular weight of 2630.55 g/mol. Its IUPAC name is 2-N-(3-amino-4-methyl-2-pyridinyl)-8-chloroquinoline-2,5-diamine;2-N-(3-amino-4-methyl-2-pyridinyl)-3-methylquinoline-2,5-diamine;8-chloro-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-(4-methyl-2-pyridinyl)quinoline-2,5-diamine;2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylquinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine;3-methyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine.

Molecular Properties

• Compound Name: 2-N-(3-amino-4-methyl-2-pyridinyl)-8-chloroquinoline-2,5-diamine;2-N-(3-amino-4-methyl-2-pyridinyl)-3-methylquinoline-2,5-diamine;8-chloro-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-(4-methyl-2-pyridinyl)quinoline-2,5-diamine;2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylquinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine;3-methyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine
• PubChem CID: 161036170
• Molecular Formula: C126H101Cl7F15N31O3
• Molecular Weight: 2630.55 g/mol
• Exact Mass: 2625.63
• IUPAC Name: 2-N-(3-amino-4-methyl-2-pyridinyl)-8-chloroquinoline-2,5-diamine;2-N-(3-amino-4-methyl-2-pyridinyl)-3-methylquinoline-2,5-diamine;8-chloro-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-(4-methyl-2-pyridinyl)quinoline-2,5-diamine;2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylquinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine;3-methyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine
• SMILES: Cc1cc2c(N)cccc2nc1Nc1cc(C(F)(F)F)ccn1.Cc1cc2c(N)cccc2nc1Nc1ccc(OC(F)(F)F)c(Cl)c1.Cc1cc2c(N)cccc2nc1Nc1nccc(C)c1N.Cc1ccnc(Nc2ccc3c(N)ccc(Cl)c3n2)c1.Cc1ccnc(Nc2ccc3c(N)ccc(Cl)c3n2)c1N.Nc1ccc(Cl)c2nc(Nc3cc(C(F)(F)F)ccn3)ccc12.Nc1ccc(Cl)c2nc(Nc3ccc(OC(F)(F)F)c(Cl)c3)ccc12.Nc1ccc(Cl)c2nc(Nc3ccc(OC(F)(F)F)cc3)ccc12
• InChI: InChI=1S/C17H13ClF3N3O.C16H10Cl2F3N3O.C16H11ClF3N3O.C16H13F3N4.C16H17N5.C15H10ClF3N4.C15H14ClN5.C15H13ClN4/c1-9-7-11-13(22)3-2-4-14(11)24-16(9)23-10-5-6-15(12(18)8-10)25-17(19,20)21;17-10-3-4-12(22)9-2-6-14(24-15(9)10)23-8-1-5-13(11(18)7-8)25-16(19,20)21;17-12-6-7-13(21)11-5-8-14(23-15(11)12)22-9-1-3-10(4-2-9)24-16(18,19)20;1-9-7-11-12(20)3-2-4-13(11)22-15(9)23-14-8-10(5-6-21-14)16(17,18)19;1-9-6-7-19-16(14(9)18)21-15-10(2)8-11-12(17)4-3-5-13(11)20-15;16-10-2-3-11(20)9-1-4-12(23-14(9)10)22-13-7-8(5-6-21-13)15(17,18)19;1-8-6-7-19-15(13(8)18)21-12-5-2-9-11(17)4-3-10(16)14(9)20-12;1-9-6-7-18-14(8-9)19-13-5-2-10-12(17)4-3-11(16)15(10)20-13/h2-8H,22H2,1H3,(H,23,24);1-7H,22H2,(H,23,24);1-8H,21H2,(H,22,23);2-8H,20H2,1H3,(H,21,22,23);3-8H,17-18H2,1-2H3,(H,19,20,21);1-7H,20H2,(H,21,22,23);2-7H,17-18H2,1H3,(H,19,20,21);2-8H,17H2,1H3,(H,18,19,20)
• InChIKey: UAGWJKZZWANDFB-UHFFFAOYSA-N
• XLogP: 35.78
• TPSA: 551.70 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 34
• Rotatable Bonds: 19
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2630.55
LogP ≤ 5	35.78
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-amino-4-methyl-2-pyridinyl)-8-chloroquinoline-2,5-diamine;2-N-(3-amino-4-methyl-2-pyridinyl)-3-methylquinoline-2,5-diamine;8-chloro-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-(4-methyl-2-pyridinyl)quinoline-2,5-diamine;2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylquinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine;3-methyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine?

The IUPAC name of 2-N-(3-amino-4-methyl-2-pyridinyl)-8-chloroquinoline-2,5-diamine;2-N-(3-amino-4-methyl-2-pyridinyl)-3-methylquinoline-2,5-diamine;8-chloro-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-(4-methyl-2-pyridinyl)quinoline-2,5-diamine;2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylquinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine;3-methyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine (CID 161036170) is 2-N-(3-amino-4-methyl-2-pyridinyl)-8-chloroquinoline-2,5-diamine;2-N-(3-amino-4-methyl-2-pyridinyl)-3-methylquinoline-2,5-diamine;8-chloro-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-(4-methyl-2-pyridinyl)quinoline-2,5-diamine;2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylquinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine;3-methyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine.

What is the SMILES notation for 2-N-(3-amino-4-methyl-2-pyridinyl)-8-chloroquinoline-2,5-diamine;2-N-(3-amino-4-methyl-2-pyridinyl)-3-methylquinoline-2,5-diamine;8-chloro-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-(4-methyl-2-pyridinyl)quinoline-2,5-diamine;2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylquinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine;3-methyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine?

The canonical SMILES for 2-N-(3-amino-4-methyl-2-pyridinyl)-8-chloroquinoline-2,5-diamine;2-N-(3-amino-4-methyl-2-pyridinyl)-3-methylquinoline-2,5-diamine;8-chloro-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-(4-methyl-2-pyridinyl)quinoline-2,5-diamine;2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylquinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine;3-methyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine is Cc1cc2c(N)cccc2nc1Nc1cc(C(F)(F)F)ccn1.Cc1cc2c(N)cccc2nc1Nc1ccc(OC(F)(F)F)c(Cl)c1.Cc1cc2c(N)cccc2nc1Nc1nccc(C)c1N.Cc1ccnc(Nc2ccc3c(N)ccc(Cl)c3n2)c1.Cc1ccnc(Nc2ccc3c(N)ccc(Cl)c3n2)c1N.Nc1ccc(Cl)c2nc(Nc3cc(C(F)(F)F)ccn3)ccc12.Nc1ccc(Cl)c2nc(Nc3ccc(OC(F)(F)F)c(Cl)c3)ccc12.Nc1ccc(Cl)c2nc(Nc3ccc(OC(F)(F)F)cc3)ccc12.

What is the InChIKey of 2-N-(3-amino-4-methyl-2-pyridinyl)-8-chloroquinoline-2,5-diamine;2-N-(3-amino-4-methyl-2-pyridinyl)-3-methylquinoline-2,5-diamine;8-chloro-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-(4-methyl-2-pyridinyl)quinoline-2,5-diamine;2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylquinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine;3-methyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine?

The InChIKey is UAGWJKZZWANDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O.C16H10Cl2F3N3O.C16H11ClF3N3O.C16H13F3N4.C16H17N5.C15H10ClF3N4.C15H14ClN5.C15H13ClN4/c1-9-7-11-13(22)3-2-4-14(11)24-16(9)23-10-5-6-15(12(18)8-10)25-17(19,20)21;17-10-3-4-12(22)9-2-6-14(24-15(9)10)23-8-1-5-13(11(18)7-8)25-16(19,20)21;17-12-6-7-13(21)11-5-8-14(23-15(11)12)22-9-1-3-10(4-2-9)24-16(18,19)20;1-9-7-11-12(20)3-2-4-13(11)22-15(9)23-14-8-10(5-6-21-14)16(17,18)19;1-9-6-7-19-16(14(9)18)21-15-10(2)8-11-12(17)4-3-5-13(11)20-15;16-10-2-3-11(20)9-1-4-12(23-14(9)10)22-13-7-8(5-6-21-13)15(17,18)19;1-8-6-7-19-15(13(8)18)21-12-5-2-9-11(17)4-3-10(16)14(9)20-12;1-9-6-7-18-14(8-9)19-13-5-2-10-12(17)4-3-11(16)15(10)20-13/h2-8H,22H2,1H3,(H,23,24);1-7H,22H2,(H,23,24);1-8H,21H2,(H,22,23);2-8H,20H2,1H3,(H,21,22,23);3-8H,17-18H2,1-2H3,(H,19,20,21);1-7H,20H2,(H,21,22,23);2-7H,17-18H2,1H3,(H,19,20,21);2-8H,17H2,1H3,(H,18,19,20).

What are the key properties of 2-N-(3-amino-4-methyl-2-pyridinyl)-8-chloroquinoline-2,5-diamine;2-N-(3-amino-4-methyl-2-pyridinyl)-3-methylquinoline-2,5-diamine;8-chloro-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-(4-methyl-2-pyridinyl)quinoline-2,5-diamine;2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylquinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine;3-methyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine?

2-N-(3-amino-4-methyl-2-pyridinyl)-8-chloroquinoline-2,5-diamine;2-N-(3-amino-4-methyl-2-pyridinyl)-3-methylquinoline-2,5-diamine;8-chloro-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-(4-methyl-2-pyridinyl)quinoline-2,5-diamine;2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylquinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine;3-methyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine has a molecular weight of 2630.55 g/mol, XLogP of 35.78, 19 rotatable bonds, 18 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(3-amino-4-methyl-2-pyridinyl)-8-chloroquinoline-2,5-diamine;2-N-(3-amino-4-methyl-2-pyridinyl)-3-methylquinoline-2,5-diamine;8-chloro-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-(4-methyl-2-pyridinyl)quinoline-2,5-diamine;2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylquinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethoxy)phenyl]quinoline-2,5-diamine;8-chloro-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine;3-methyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]quinoline-2,5-diamine is sourced from PubChem (CID 161036170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).