4-chloro-5-fluoroquinazoline;3,3-difluoro-1-methylpiperidin-4-ol;1,1-dimethoxy-N,N-dimethylmethanamine;1-fluoro-2-methyl-4-nitrobenzene;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol;4-methoxypyridin-2-amine;N'-(4-methoxy-2-pyridinyl)-N,N-dimethylmethanimidamide;7-methoxy-[1,2,4]triazolo[1,5-a]pyridine;7-(2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;propan-2-ol;pyridine;3H-[1,2,4]triazolo[1,5-a]pyridin-7-one;hydrochloride

C110H122Cl2F5N31O16 — CID 161471570

About 4-chloro-5-fluoroquinazoline;3,3-difluoro-1-methylpiperidin-4-ol;1,1-dimethoxy-N,N-dimethylmethanamine;1-fluoro-2-methyl-4-nitrobenzene;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol;4-methoxypyridin-2-amine;N'-(4-methoxy-2-pyridinyl)-N,N-dimethylmethanimidamide;7-methoxy-[1,2,4]triazolo[1,5-a]pyridine;7-(2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;propan-2-ol;pyridine;3H-[1,2,4]triazolo[1,5-a]pyridin-7-one;hydrochloride

4-chloro-5-fluoroquinazoline;3,3-difluoro-1-methylpiperidin-4-ol;1,1-dimethoxy-N,N-dimethylmethanamine;1-fluoro-2-methyl-4-nitrobenzene;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol;4-methoxypyridin-2-amine;N'-(4-methoxy-2-pyridinyl)-N,N-dimethylmethanimidamide;7-methoxy-[1,2,4]triazolo[1,5-a]pyridine;7-(2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;propan-2-ol;pyridine;3H-[1,2,4]triazolo[1,5-a]pyridin-7-one;hydrochloride (PubChem CID 161471570) has the molecular formula C110H122Cl2F5N31O16 and a molecular weight of 2300.28 g/mol. Its IUPAC name is 4-chloro-5-fluoroquinazoline;3,3-difluoro-1-methylpiperidin-4-ol;1,1-dimethoxy-N,N-dimethylmethanamine;1-fluoro-2-methyl-4-nitrobenzene;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol;4-methoxypyridin-2-amine;N'-(4-methoxy-2-pyridinyl)-N,N-dimethylmethanimidamide;7-methoxy-[1,2,4]triazolo[1,5-a]pyridine;7-(2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;propan-2-ol;pyridine;3H-[1,2,4]triazolo[1,5-a]pyridin-7-one;hydrochloride.

Molecular Properties

• Compound Name: 4-chloro-5-fluoroquinazoline;3,3-difluoro-1-methylpiperidin-4-ol;1,1-dimethoxy-N,N-dimethylmethanamine;1-fluoro-2-methyl-4-nitrobenzene;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol;4-methoxypyridin-2-amine;N'-(4-methoxy-2-pyridinyl)-N,N-dimethylmethanimidamide;7-methoxy-[1,2,4]triazolo[1,5-a]pyridine;7-(2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;propan-2-ol;pyridine;3H-[1,2,4]triazolo[1,5-a]pyridin-7-one;hydrochloride
• PubChem CID: 161471570
• Molecular Formula: C110H122Cl2F5N31O16
• Molecular Weight: 2300.28 g/mol
• Exact Mass: 2297.90
• IUPAC Name: 4-chloro-5-fluoroquinazoline;3,3-difluoro-1-methylpiperidin-4-ol;1,1-dimethoxy-N,N-dimethylmethanamine;1-fluoro-2-methyl-4-nitrobenzene;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol;4-methoxypyridin-2-amine;N'-(4-methoxy-2-pyridinyl)-N,N-dimethylmethanimidamide;7-methoxy-[1,2,4]triazolo[1,5-a]pyridine;7-(2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;propan-2-ol;pyridine;3H-[1,2,4]triazolo[1,5-a]pyridin-7-one;hydrochloride
• SMILES: CC(C)O.CN1CCC(O)C(F)(F)C1.CO.COC(OC)N(C)C.COc1ccn2ncnc2c1.COc1ccnc(/N=C/N(C)C)c1.COc1ccnc(N)c1.Cc1cc(N)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3cccc(F)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc([N+](=O)[O-])ccc1F.Cc1cc([N+](=O)[O-])ccc1Oc1ccn2ncnc2c1.Cl.Fc1cccc2ncnc(Cl)c12.O=c1ccn2[nH]cnc2c1.c1ccncc1
• InChI: InChI=1S/C21H15FN6O.C13H10N4O3.C13H12N4O.C9H13N3O.C8H4ClFN2.C7H6FNO2.C7H7N3O.C6H11F2NO.C6H5N3O.C6H8N2O.C5H13NO2.C5H5N.C3H8O.CH4O.ClH/c1-13-9-14(27-21-20-16(22)3-2-4-17(20)23-11-25-21)5-6-18(13)29-15-7-8-28-19(10-15)24-12-26-28;1-9-6-10(17(18)19)2-3-12(9)20-11-4-5-16-13(7-11)14-8-15-16;1-9-6-10(14)2-3-12(9)18-11-4-5-17-13(7-11)15-8-16-17;1-12(2)7-11-9-6-8(13-3)4-5-10-9;9-8-7-5(10)2-1-3-6(7)11-4-12-8;1-5-4-6(9(10)11)2-3-7(5)8;1-11-6-2-3-10-7(4-6)8-5-9-10;1-9-3-2-5(10)6(7,8)4-9;10-5-1-2-9-6(3-5)7-4-8-9;1-9-5-2-3-8-6(7)4-5;1-6(2)5(7-3)8-4;1-2-4-6-5-3-1;1-3(2)4;1-2;/h2-12H,1H3,(H,23,25,27);2-8H,1H3;2-8H,14H2,1H3;4-7H,1-3H3;1-4H;2-4H,1H3;2-5H,1H3;5,10H,2-4H2,1H3;1-4H,(H,7,8);2-4H,1H3,(H2,7,8);5H,1-4H3;1-5H;3-4H,1-2H3;2H,1H3;1H/b;;;11-7+
• InChIKey: XMSBRDGNRUQTFG-HUUGUCAHSA-N
• XLogP: 18.96
• TPSA: 568.11 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 43
• Rotatable Bonds: 18
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2300.28
LogP ≤ 5	18.96
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoroquinazoline;3,3-difluoro-1-methylpiperidin-4-ol;1,1-dimethoxy-N,N-dimethylmethanamine;1-fluoro-2-methyl-4-nitrobenzene;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol;4-methoxypyridin-2-amine;N'-(4-methoxy-2-pyridinyl)-N,N-dimethylmethanimidamide;7-methoxy-[1,2,4]triazolo[1,5-a]pyridine;7-(2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;propan-2-ol;pyridine;3H-[1,2,4]triazolo[1,5-a]pyridin-7-one;hydrochloride?

The IUPAC name of 4-chloro-5-fluoroquinazoline;3,3-difluoro-1-methylpiperidin-4-ol;1,1-dimethoxy-N,N-dimethylmethanamine;1-fluoro-2-methyl-4-nitrobenzene;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol;4-methoxypyridin-2-amine;N'-(4-methoxy-2-pyridinyl)-N,N-dimethylmethanimidamide;7-methoxy-[1,2,4]triazolo[1,5-a]pyridine;7-(2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;propan-2-ol;pyridine;3H-[1,2,4]triazolo[1,5-a]pyridin-7-one;hydrochloride (CID 161471570) is 4-chloro-5-fluoroquinazoline;3,3-difluoro-1-methylpiperidin-4-ol;1,1-dimethoxy-N,N-dimethylmethanamine;1-fluoro-2-methyl-4-nitrobenzene;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol;4-methoxypyridin-2-amine;N'-(4-methoxy-2-pyridinyl)-N,N-dimethylmethanimidamide;7-methoxy-[1,2,4]triazolo[1,5-a]pyridine;7-(2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;propan-2-ol;pyridine;3H-[1,2,4]triazolo[1,5-a]pyridin-7-one;hydrochloride.

What is the SMILES notation for 4-chloro-5-fluoroquinazoline;3,3-difluoro-1-methylpiperidin-4-ol;1,1-dimethoxy-N,N-dimethylmethanamine;1-fluoro-2-methyl-4-nitrobenzene;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol;4-methoxypyridin-2-amine;N'-(4-methoxy-2-pyridinyl)-N,N-dimethylmethanimidamide;7-methoxy-[1,2,4]triazolo[1,5-a]pyridine;7-(2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;propan-2-ol;pyridine;3H-[1,2,4]triazolo[1,5-a]pyridin-7-one;hydrochloride?

The canonical SMILES for 4-chloro-5-fluoroquinazoline;3,3-difluoro-1-methylpiperidin-4-ol;1,1-dimethoxy-N,N-dimethylmethanamine;1-fluoro-2-methyl-4-nitrobenzene;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol;4-methoxypyridin-2-amine;N'-(4-methoxy-2-pyridinyl)-N,N-dimethylmethanimidamide;7-methoxy-[1,2,4]triazolo[1,5-a]pyridine;7-(2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;propan-2-ol;pyridine;3H-[1,2,4]triazolo[1,5-a]pyridin-7-one;hydrochloride is CC(C)O.CN1CCC(O)C(F)(F)C1.CO.COC(OC)N(C)C.COc1ccn2ncnc2c1.COc1ccnc(/N=C/N(C)C)c1.COc1ccnc(N)c1.Cc1cc(N)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3cccc(F)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc([N+](=O)[O-])ccc1F.Cc1cc([N+](=O)[O-])ccc1Oc1ccn2ncnc2c1.Cl.Fc1cccc2ncnc(Cl)c12.O=c1ccn2[nH]cnc2c1.c1ccncc1.

What is the InChIKey of 4-chloro-5-fluoroquinazoline;3,3-difluoro-1-methylpiperidin-4-ol;1,1-dimethoxy-N,N-dimethylmethanamine;1-fluoro-2-methyl-4-nitrobenzene;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol;4-methoxypyridin-2-amine;N'-(4-methoxy-2-pyridinyl)-N,N-dimethylmethanimidamide;7-methoxy-[1,2,4]triazolo[1,5-a]pyridine;7-(2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;propan-2-ol;pyridine;3H-[1,2,4]triazolo[1,5-a]pyridin-7-one;hydrochloride?

The InChIKey is XMSBRDGNRUQTFG-HUUGUCAHSA-N. The full InChI is InChI=1S/C21H15FN6O.C13H10N4O3.C13H12N4O.C9H13N3O.C8H4ClFN2.C7H6FNO2.C7H7N3O.C6H11F2NO.C6H5N3O.C6H8N2O.C5H13NO2.C5H5N.C3H8O.CH4O.ClH/c1-13-9-14(27-21-20-16(22)3-2-4-17(20)23-11-25-21)5-6-18(13)29-15-7-8-28-19(10-15)24-12-26-28;1-9-6-10(17(18)19)2-3-12(9)20-11-4-5-16-13(7-11)14-8-15-16;1-9-6-10(14)2-3-12(9)18-11-4-5-17-13(7-11)15-8-16-17;1-12(2)7-11-9-6-8(13-3)4-5-10-9;9-8-7-5(10)2-1-3-6(7)11-4-12-8;1-5-4-6(9(10)11)2-3-7(5)8;1-11-6-2-3-10-7(4-6)8-5-9-10;1-9-3-2-5(10)6(7,8)4-9;10-5-1-2-9-6(3-5)7-4-8-9;1-9-5-2-3-8-6(7)4-5;1-6(2)5(7-3)8-4;1-2-4-6-5-3-1;1-3(2)4;1-2;/h2-12H,1H3,(H,23,25,27);2-8H,1H3;2-8H,14H2,1H3;4-7H,1-3H3;1-4H;2-4H,1H3;2-5H,1H3;5,10H,2-4H2,1H3;1-4H,(H,7,8);2-4H,1H3,(H2,7,8);5H,1-4H3;1-5H;3-4H,1-2H3;2H,1H3;1H/b;;;11-7+;;;;;;;;;;;.

What are the key properties of 4-chloro-5-fluoroquinazoline;3,3-difluoro-1-methylpiperidin-4-ol;1,1-dimethoxy-N,N-dimethylmethanamine;1-fluoro-2-methyl-4-nitrobenzene;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol;4-methoxypyridin-2-amine;N'-(4-methoxy-2-pyridinyl)-N,N-dimethylmethanimidamide;7-methoxy-[1,2,4]triazolo[1,5-a]pyridine;7-(2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;propan-2-ol;pyridine;3H-[1,2,4]triazolo[1,5-a]pyridin-7-one;hydrochloride?

4-chloro-5-fluoroquinazoline;3,3-difluoro-1-methylpiperidin-4-ol;1,1-dimethoxy-N,N-dimethylmethanamine;1-fluoro-2-methyl-4-nitrobenzene;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol;4-methoxypyridin-2-amine;N'-(4-methoxy-2-pyridinyl)-N,N-dimethylmethanimidamide;7-methoxy-[1,2,4]triazolo[1,5-a]pyridine;7-(2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;propan-2-ol;pyridine;3H-[1,2,4]triazolo[1,5-a]pyridin-7-one;hydrochloride has a molecular weight of 2300.28 g/mol, XLogP of 18.96, 18 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5-fluoroquinazoline;3,3-difluoro-1-methylpiperidin-4-ol;1,1-dimethoxy-N,N-dimethylmethanamine;1-fluoro-2-methyl-4-nitrobenzene;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol;4-methoxypyridin-2-amine;N'-(4-methoxy-2-pyridinyl)-N,N-dimethylmethanimidamide;7-methoxy-[1,2,4]triazolo[1,5-a]pyridine;7-(2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline;propan-2-ol;pyridine;3H-[1,2,4]triazolo[1,5-a]pyridin-7-one;hydrochloride is sourced from PubChem (CID 161471570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).