C153H148ClF5N28O3 — CID 158938647
6-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine-2-carbonitrile;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine;N-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]morpholine (PubChem CID 158938647) has the molecular formula C153H148ClF5N28O3 and a molecular weight of 2557.50 g/mol. Its IUPAC name is 6-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine-2-carbonitrile;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine;N-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]morpholine.
| Compound Name | 6-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine-2-carbonitrile;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine;N-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]morpholine |
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| PubChem CID | 158938647 |
| Molecular Formula | C153H148ClF5N28O3 |
| Molecular Weight | 2557.50 g/mol |
| Exact Mass | 2555.19 |
| IUPAC Name | 6-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine-2-carbonitrile;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine;N-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]morpholine |
| SMILES | Cc1cc(-c2ncccc2-c2ccc3ncnc(NCC4CCN(C)CC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(NCCC4CCN(C)CC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(NCCCN(C)C)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(NCCCN4CCOCC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(OCCN4CCOCC4)c3c2)ccc1F.N#Cc1ccc2cc(-c3cccnc3-c3cccc(Cl)c3)cnc2n1 |
| InChI | InChI=1S/C28H30FN5.C27H28FN5O.C27H28FN5.C26H25FN4O2.C25H26FN5.C20H11ClN4/c1-19-16-22(5-7-25(19)29)27-23(4-3-12-30-27)21-6-8-26-24(17-21)28(33-18-32-26)31-13-9-20-10-14-34(2)15-11-20;1-19-16-21(5-7-24(19)28)26-22(4-2-9-29-26)20-6-8-25-23(17-20)27(32-18-31-25)30-10-3-11-33-12-14-34-15-13-33;1-18-14-21(5-7-24(18)28)26-22(4-3-11-29-26)20-6-8-25-23(15-20)27(32-17-31-25)30-16-19-9-12-33(2)13-10-19;1-18-15-20(4-6-23(18)27)25-21(3-2-8-28-25)19-5-7-24-22(16-19)26(30-17-29-24)33-14-11-31-9-12-32-13-10-31;1-17-14-19(7-9-22(17)26)24-20(6-4-11-27-24)18-8-10-23-21(15-18)25(30-16-29-23)28-12-5-13-31(2)3;21-16-4-1-3-13(10-16)19-18(5-2-8-23-19)15-9-14-6-7-17(11-22)25-20(14)24-12-15/h3-8,12,16-18,20H,9-11,13-15H2,1-2H3,(H,31,32,33);2,4-9,16-18H,3,10-15H2,1H3,(H,30,31,32);3-8,11,14-15,17,19H,9-10,12-13,16H2,1-2H3,(H,30,31,32);2-8,15-17H,9-14H2,1H3;4,6-11,14-16H,5,12-13H2,1-3H3,(H,28,29,30);1-10,12H |
| InChIKey | JJYVLUBFTQNOBC-UHFFFAOYSA-N |
| XLogP | 31.02 |
| TPSA | 347.82 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 190 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2557.50 |
| LogP ≤ 5 | 31.02 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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