4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol;2-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine

C87H69Cl2F7N18O2 — CID 158326638

About 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol;2-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine

4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol;2-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 158326638) has the molecular formula C87H69Cl2F7N18O2 and a molecular weight of 1602.52 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol;2-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol;2-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 158326638
• Molecular Formula: C87H69Cl2F7N18O2
• Molecular Weight: 1602.52 g/mol
• Exact Mass: 1600.51
• IUPAC Name: 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol;2-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine
• SMILES: CN(C)CCCNc1cc(Nc2cc(-c3ccccc3F)nc3ccccc23)ccn1.CNC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ccccc12.Nc1ncnc(Nc2cc(-c3cc(C(F)(F)F)ccc3F)nc3ccccc23)n1.OCc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ccccc12
• InChI: InChI=1S/C25H26FN5.C22H16ClFN4O.C21H15ClFN3O.C19H12F4N6/c1-31(2)15-7-13-27-25-16-18(12-14-28-25)29-24-17-23(19-8-3-5-10-21(19)26)30-22-11-6-4-9-20(22)24;1-25-22(29)16-12-26-9-8-19(16)28-20-11-21(15-10-13(23)6-7-17(15)24)27-18-5-3-2-4-14(18)20;22-14-5-6-17(23)16(9-14)21-10-20(15-3-1-2-4-19(15)26-21)25-18-7-8-24-11-13(18)12-27;20-13-6-5-10(19(21,22)23)7-12(13)16-8-15(11-3-1-2-4-14(11)27-16)28-18-26-9-25-17(24)29-18/h3-6,8-12,14,16-17H,7,13,15H2,1-2H3,(H2,27,28,29,30);2-12H,1H3,(H,25,29)(H,26,27,28);1-11,27H,12H2,(H,24,25,26);1-9H,(H3,24,25,26,27,28,29)
• InChIKey: GPMJEOSBFUFSPY-UHFFFAOYSA-N
• XLogP: 20.63
• TPSA: 267.64 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1602.52
LogP ≤ 5	20.63
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol;2-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol;2-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine (CID 158326638) is 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol;2-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol;2-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol;2-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine is CN(C)CCCNc1cc(Nc2cc(-c3ccccc3F)nc3ccccc23)ccn1.CNC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ccccc12.Nc1ncnc(Nc2cc(-c3cc(C(F)(F)F)ccc3F)nc3ccccc23)n1.OCc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ccccc12.

What is the InChIKey of 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol;2-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine?

The InChIKey is GPMJEOSBFUFSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5.C22H16ClFN4O.C21H15ClFN3O.C19H12F4N6/c1-31(2)15-7-13-27-25-16-18(12-14-28-25)29-24-17-23(19-8-3-5-10-21(19)26)30-22-11-6-4-9-20(22)24;1-25-22(29)16-12-26-9-8-19(16)28-20-11-21(15-10-13(23)6-7-17(15)24)27-18-5-3-2-4-14(18)20;22-14-5-6-17(23)16(9-14)21-10-20(15-3-1-2-4-19(15)26-21)25-18-7-8-24-11-13(18)12-27;20-13-6-5-10(19(21,22)23)7-12(13)16-8-15(11-3-1-2-4-14(11)27-16)28-18-26-9-25-17(24)29-18/h3-6,8-12,14,16-17H,7,13,15H2,1-2H3,(H2,27,28,29,30);2-12H,1H3,(H,25,29)(H,26,27,28);1-11,27H,12H2,(H,24,25,26);1-9H,(H3,24,25,26,27,28,29).

What are the key properties of 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol;2-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine?

4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol;2-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 1602.52 g/mol, XLogP of 20.63, 19 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol;2-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 158326638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).