6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-methylquinazolin-4-amine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine

C122H89Cl3F12N24O5 — CID 158323258

IUPAC6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-methylquinazolin-4-amine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC1(C)CC(Nc2ncnc3ccc(-c4cccnc4-c4ccc(F)c(Cl)c4)cc23)CC(C)(C)N1O.CNc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12.Cn1c(=O)cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc21.FC(F)(F)Oc1cccc(-c2ncccc2-c2ccn3ncnc3c2)c1.FC(F)Oc1cccc(-c2ncccc2-c2ccn3ncnc3c2)c1.Fc1ccc(OC(F)(F)F)cc1-c1ncccc1-c1ccn2ncnc2c1
InChIInChI=1S/C28H29ClFN5O.C20H14ClFN4.C20H13ClFN3O.C18H10F4N4O.C18H11F3N4O.C18H12F2N4O/c1-27(2)14-19(15-28(3,4)35(27)36)34-26-21-12-17(8-10-24(21)32-16-33-26)20-6-5-11-31-25(20)18-7-9-23(30)22(29)13-18;1-23-20-15-9-12(5-7-18(15)25-11-26-20)14-3-2-8-24-19(14)13-4-6-17(22)16(21)10-13;1-25-18-10-12(5-7-17(18)24-11-19(25)26)14-3-2-8-23-20(14)13-4-6-16(22)15(21)9-13;19-15-4-3-12(27-18(20,21)22)9-14(15)17-13(2-1-6-23-17)11-5-7-26-16(8-11)24-10-25-26;19-18(20,21)26-14-4-1-3-13(9-14)17-15(5-2-7-22-17)12-6-8-25-16(10-12)23-11-24-25;19-18(20)25-14-4-1-3-13(9-14)17-15(5-2-7-21-17)12-6-8-24-16(10-12)22-11-23-24/h5-13,16,19,36H,14-15H2,1-4H3,(H,32,33,34);2-11H,1H3,(H,23,25,26);2-11H,1H3;1-10H;1-11H;1-11,18H
InChIKeyGPCIEUGEXPVSCB-UHFFFAOYSA-N
MW2305.55 g/mol
LogP29.53
Rot. Bonds19

About 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-methylquinazolin-4-amine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine

6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-methylquinazolin-4-amine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 158323258) has the molecular formula C122H89Cl3F12N24O5 and a molecular weight of 2305.55 g/mol. Its IUPAC name is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-methylquinazolin-4-amine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-methylquinazolin-4-amine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID158323258
Molecular FormulaC122H89Cl3F12N24O5
Molecular Weight2305.55 g/mol
Exact Mass2302.63
IUPAC Name6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-methylquinazolin-4-amine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC1(C)CC(Nc2ncnc3ccc(-c4cccnc4-c4ccc(F)c(Cl)c4)cc23)CC(C)(C)N1O.CNc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12.Cn1c(=O)cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc21.FC(F)(F)Oc1cccc(-c2ncccc2-c2ccn3ncnc3c2)c1.FC(F)Oc1cccc(-c2ncccc2-c2ccn3ncnc3c2)c1.Fc1ccc(OC(F)(F)F)cc1-c1ncccc1-c1ccn2ncnc2c1
InChIInChI=1S/C28H29ClFN5O.C20H14ClFN4.C20H13ClFN3O.C18H10F4N4O.C18H11F3N4O.C18H12F2N4O/c1-27(2)14-19(15-28(3,4)35(27)36)34-26-21-12-17(8-10-24(21)32-16-33-26)20-6-5-11-31-25(20)18-7-9-23(30)22(29)13-18;1-23-20-15-9-12(5-7-18(15)25-11-26-20)14-3-2-8-24-19(14)13-4-6-17(22)16(21)10-13;1-25-18-10-12(5-7-17(18)24-11-19(25)26)14-3-2-8-23-20(14)13-4-6-16(22)15(21)9-13;19-15-4-3-12(27-18(20,21)22)9-14(15)17-13(2-1-6-23-17)11-5-7-26-16(8-11)24-10-25-26;19-18(20,21)26-14-4-1-3-13(9-14)17-15(5-2-7-22-17)12-6-8-25-16(10-12)23-11-24-25;19-18(20)25-14-4-1-3-13(9-14)17-15(5-2-7-21-17)12-6-8-24-16(10-12)22-11-23-24/h5-13,16,19,36H,14-15H2,1-4H3,(H,32,33,34);2-11H,1H3,(H,23,25,26);2-11H,1H3;1-10H;1-11H;1-11,18H
InChIKeyGPCIEUGEXPVSCB-UHFFFAOYSA-N
XLogP29.53
TPSA329.58 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds19
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002305.55
LogP ≤ 529.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-methylquinazolin-4-amine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-methylquinazolin-4-amine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-methylquinazolin-4-amine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 158323258) is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-methylquinazolin-4-amine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-methylquinazolin-4-amine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-methylquinazolin-4-amine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine is CC1(C)CC(Nc2ncnc3ccc(-c4cccnc4-c4ccc(F)c(Cl)c4)cc23)CC(C)(C)N1O.CNc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12.Cn1c(=O)cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc21.FC(F)(F)Oc1cccc(-c2ncccc2-c2ccn3ncnc3c2)c1.FC(F)Oc1cccc(-c2ncccc2-c2ccn3ncnc3c2)c1.Fc1ccc(OC(F)(F)F)cc1-c1ncccc1-c1ccn2ncnc2c1.
What is the InChIKey of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-methylquinazolin-4-amine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is GPCIEUGEXPVSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClFN5O.C20H14ClFN4.C20H13ClFN3O.C18H10F4N4O.C18H11F3N4O.C18H12F2N4O/c1-27(2)14-19(15-28(3,4)35(27)36)34-26-21-12-17(8-10-24(21)32-16-33-26)20-6-5-11-31-25(20)18-7-9-23(30)22(29)13-18;1-23-20-15-9-12(5-7-18(15)25-11-26-20)14-3-2-8-24-19(14)13-4-6-17(22)16(21)10-13;1-25-18-10-12(5-7-17(18)24-11-19(25)26)14-3-2-8-23-20(14)13-4-6-16(22)15(21)9-13;19-15-4-3-12(27-18(20,21)22)9-14(15)17-13(2-1-6-23-17)11-5-7-26-16(8-11)24-10-25-26;19-18(20,21)26-14-4-1-3-13(9-14)17-15(5-2-7-22-17)12-6-8-25-16(10-12)23-11-24-25;19-18(20)25-14-4-1-3-13(9-14)17-15(5-2-7-21-17)12-6-8-24-16(10-12)22-11-23-24/h5-13,16,19,36H,14-15H2,1-4H3,(H,32,33,34);2-11H,1H3,(H,23,25,26);2-11H,1H3;1-10H;1-11H;1-11,18H.
What are the key properties of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-methylquinazolin-4-amine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-methylquinazolin-4-amine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 2305.55 g/mol, XLogP of 29.53, 19 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-methylquinazolin-4-amine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 158323258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).