1-[3-[2-(6-amino-3-chloro-1,7-naphthyridin-4-yl)ethynyl]phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;6,7-dimethoxy-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]quinazolin-4-amine;(3R)-1-(6,7-dimethoxy-2-methylquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine;4-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]-6,7-dimethoxy-2-methylquinazoline

C92H95ClF6N16O7 — CID 158025569

About 1-[3-[2-(6-amino-3-chloro-1,7-naphthyridin-4-yl)ethynyl]phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;6,7-dimethoxy-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]quinazolin-4-amine;(3R)-1-(6,7-dimethoxy-2-methylquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine;4-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]-6,7-dimethoxy-2-methylquinazoline

1-[3-[2-(6-amino-3-chloro-1,7-naphthyridin-4-yl)ethynyl]phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;6,7-dimethoxy-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]quinazolin-4-amine;(3R)-1-(6,7-dimethoxy-2-methylquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine;4-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]-6,7-dimethoxy-2-methylquinazoline (PubChem CID 158025569) has the molecular formula C92H95ClF6N16O7 and a molecular weight of 1686.32 g/mol. Its IUPAC name is 1-[3-[2-(6-amino-3-chloro-1,7-naphthyridin-4-yl)ethynyl]phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;6,7-dimethoxy-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]quinazolin-4-amine;(3R)-1-(6,7-dimethoxy-2-methylquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine;4-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]-6,7-dimethoxy-2-methylquinazoline.

Molecular Properties

• Compound Name: 1-[3-[2-(6-amino-3-chloro-1,7-naphthyridin-4-yl)ethynyl]phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;6,7-dimethoxy-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]quinazolin-4-amine;(3R)-1-(6,7-dimethoxy-2-methylquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine;4-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]-6,7-dimethoxy-2-methylquinazoline
• PubChem CID: 158025569
• Molecular Formula: C92H95ClF6N16O7
• Molecular Weight: 1686.32 g/mol
• Exact Mass: 1684.72
• IUPAC Name: 1-[3-[2-(6-amino-3-chloro-1,7-naphthyridin-4-yl)ethynyl]phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;6,7-dimethoxy-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]quinazolin-4-amine;(3R)-1-(6,7-dimethoxy-2-methylquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine;4-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]-6,7-dimethoxy-2-methylquinazoline
• SMILES: COc1cc2nc(C)nc(C#Cc3ccc(C4=NCC(C)(C)N4)cc3)c2cc1OC.COc1cc2nc(C)nc(N3CC[C@@H](N(C)C)C3)c2cc1OC.COc1cc2nc(C)nc(Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)c2cc1OC.Cc1ccc(CC(=O)Cc2cccc(C#Cc3c(Cl)cnc4cnc(N)cc34)c2)cc1C(F)(F)F
• InChI: InChI=1S/C27H19ClF3N3O.C24H28F3N5O2.C24H24N4O2.C17H24N4O2/c1-16-5-6-19(12-23(16)27(29,30)31)11-20(35)10-18-4-2-3-17(9-18)7-8-21-22-13-26(32)34-15-25(22)33-14-24(21)28;1-15-28-20-13-22(34-4)21(33-3)12-18(20)23(29-15)30-17-6-5-16(19(11-17)24(25,26)27)14-32-9-7-31(2)8-10-32;1-15-26-19(18-12-21(29-4)22(30-5)13-20(18)27-15)11-8-16-6-9-17(10-7-16)23-25-14-24(2,3)28-23;1-11-18-14-9-16(23-5)15(22-4)8-13(14)17(19-11)21-7-6-12(10-21)20(2)3/h2-6,9,12-15H,10-11H2,1H3,(H2,32,34);5-6,11-13H,7-10,14H2,1-4H3,(H,28,29,30);6-7,9-10,12-13H,14H2,1-5H3,(H,25,28);8-9,12H,6-7,10H2,1-5H3/t;;;12-/m...1/s1
• InChIKey: FGOKWPWHTXSPRB-HMVDABEBSA-N
• XLogP: 15.99
• TPSA: 250.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1686.32
LogP ≤ 5	15.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(6-amino-3-chloro-1,7-naphthyridin-4-yl)ethynyl]phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;6,7-dimethoxy-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]quinazolin-4-amine;(3R)-1-(6,7-dimethoxy-2-methylquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine;4-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]-6,7-dimethoxy-2-methylquinazoline?

The IUPAC name of 1-[3-[2-(6-amino-3-chloro-1,7-naphthyridin-4-yl)ethynyl]phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;6,7-dimethoxy-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]quinazolin-4-amine;(3R)-1-(6,7-dimethoxy-2-methylquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine;4-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]-6,7-dimethoxy-2-methylquinazoline (CID 158025569) is 1-[3-[2-(6-amino-3-chloro-1,7-naphthyridin-4-yl)ethynyl]phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;6,7-dimethoxy-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]quinazolin-4-amine;(3R)-1-(6,7-dimethoxy-2-methylquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine;4-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]-6,7-dimethoxy-2-methylquinazoline.

What is the SMILES notation for 1-[3-[2-(6-amino-3-chloro-1,7-naphthyridin-4-yl)ethynyl]phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;6,7-dimethoxy-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]quinazolin-4-amine;(3R)-1-(6,7-dimethoxy-2-methylquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine;4-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]-6,7-dimethoxy-2-methylquinazoline?

The canonical SMILES for 1-[3-[2-(6-amino-3-chloro-1,7-naphthyridin-4-yl)ethynyl]phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;6,7-dimethoxy-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]quinazolin-4-amine;(3R)-1-(6,7-dimethoxy-2-methylquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine;4-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]-6,7-dimethoxy-2-methylquinazoline is COc1cc2nc(C)nc(C#Cc3ccc(C4=NCC(C)(C)N4)cc3)c2cc1OC.COc1cc2nc(C)nc(N3CC[C@@H](N(C)C)C3)c2cc1OC.COc1cc2nc(C)nc(Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)c2cc1OC.Cc1ccc(CC(=O)Cc2cccc(C#Cc3c(Cl)cnc4cnc(N)cc34)c2)cc1C(F)(F)F.

What is the InChIKey of 1-[3-[2-(6-amino-3-chloro-1,7-naphthyridin-4-yl)ethynyl]phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;6,7-dimethoxy-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]quinazolin-4-amine;(3R)-1-(6,7-dimethoxy-2-methylquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine;4-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]-6,7-dimethoxy-2-methylquinazoline?

The InChIKey is FGOKWPWHTXSPRB-HMVDABEBSA-N. The full InChI is InChI=1S/C27H19ClF3N3O.C24H28F3N5O2.C24H24N4O2.C17H24N4O2/c1-16-5-6-19(12-23(16)27(29,30)31)11-20(35)10-18-4-2-3-17(9-18)7-8-21-22-13-26(32)34-15-25(22)33-14-24(21)28;1-15-28-20-13-22(34-4)21(33-3)12-18(20)23(29-15)30-17-6-5-16(19(11-17)24(25,26)27)14-32-9-7-31(2)8-10-32;1-15-26-19(18-12-21(29-4)22(30-5)13-20(18)27-15)11-8-16-6-9-17(10-7-16)23-25-14-24(2,3)28-23;1-11-18-14-9-16(23-5)15(22-4)8-13(14)17(19-11)21-7-6-12(10-21)20(2)3/h2-6,9,12-15H,10-11H2,1H3,(H2,32,34);5-6,11-13H,7-10,14H2,1-4H3,(H,28,29,30);6-7,9-10,12-13H,14H2,1-5H3,(H,25,28);8-9,12H,6-7,10H2,1-5H3/t;;;12-/m...1/s1.

What are the key properties of 1-[3-[2-(6-amino-3-chloro-1,7-naphthyridin-4-yl)ethynyl]phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;6,7-dimethoxy-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]quinazolin-4-amine;(3R)-1-(6,7-dimethoxy-2-methylquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine;4-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]-6,7-dimethoxy-2-methylquinazoline?

1-[3-[2-(6-amino-3-chloro-1,7-naphthyridin-4-yl)ethynyl]phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;6,7-dimethoxy-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]quinazolin-4-amine;(3R)-1-(6,7-dimethoxy-2-methylquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine;4-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]-6,7-dimethoxy-2-methylquinazoline has a molecular weight of 1686.32 g/mol, XLogP of 15.99, 17 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-(6-amino-3-chloro-1,7-naphthyridin-4-yl)ethynyl]phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;6,7-dimethoxy-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]quinazolin-4-amine;(3R)-1-(6,7-dimethoxy-2-methylquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine;4-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]-6,7-dimethoxy-2-methylquinazoline is sourced from PubChem (CID 158025569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).