6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-(1-pyridin-4-ylpiperidin-4-yl)oxyquinazoline;5-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]-4-methyl-1,3-thiazole;4-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyphenyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline

C153H115Cl2F6N25O5S — CID 158739966

IUPAC6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-(1-pyridin-4-ylpiperidin-4-yl)oxyquinazoline;5-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]-4-methyl-1,3-thiazole;4-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyphenyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline
SMILESCc1cc(-c2ncccc2-c2ccc3ncnc(OC4CCN(c5ccncc5)CC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(OCCc4scnc4C)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(Oc4ccc5ncccc5c4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(Oc4cccc(N5CCOCC5)c4)c3c2)ccc1F.Nc1ncnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc12.Nc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12
InChIInChI=1S/C30H26FN5O.C30H25FN4O2.C29H19FN4O.C26H21FN4OS.2C19H12ClFN4/c1-20-17-22(4-6-27(20)31)29-25(3-2-12-33-29)21-5-7-28-26(18-21)30(35-19-34-28)37-24-10-15-36(16-11-24)23-8-13-32-14-9-23;1-20-16-22(7-9-27(20)31)29-25(6-3-11-32-29)21-8-10-28-26(17-21)30(34-19-33-28)37-24-5-2-4-23(18-24)35-12-14-36-15-13-35;1-18-14-21(6-9-25(18)30)28-23(5-3-13-32-28)19-7-10-27-24(16-19)29(34-17-33-27)35-22-8-11-26-20(15-22)4-2-12-31-26;1-16-12-19(5-7-22(16)27)25-20(4-3-10-28-25)18-6-8-23-21(13-18)26(30-14-29-23)32-11-9-24-17(2)31-15-33-24;20-12-4-5-16(21)14(9-12)18-13(2-1-7-23-18)11-3-6-17-15(8-11)19(22)25-10-24-17;20-15-9-12(3-5-16(15)21)18-13(2-1-7-23-18)11-4-6-17-14(8-11)19(22)25-10-24-17/h2-9,12-14,17-19,24H,10-11,15-16H2,1H3;2-11,16-19H,12-15H2,1H3;2-17H,1H3;3-8,10,12-15H,9,11H2,1-2H3;2*1-10H,(H2,22,24,25)
InChIKeyIMDYJPXBYZRQPI-UHFFFAOYSA-N
MW2600.73 g/mol
LogP35.49
Rot. Bonds24

About 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-(1-pyridin-4-ylpiperidin-4-yl)oxyquinazoline;5-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]-4-methyl-1,3-thiazole;4-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyphenyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline

6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-(1-pyridin-4-ylpiperidin-4-yl)oxyquinazoline;5-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]-4-methyl-1,3-thiazole;4-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyphenyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline (PubChem CID 158739966) has the molecular formula C153H115Cl2F6N25O5S and a molecular weight of 2600.73 g/mol. Its IUPAC name is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-(1-pyridin-4-ylpiperidin-4-yl)oxyquinazoline;5-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]-4-methyl-1,3-thiazole;4-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyphenyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline.

Molecular Properties

Compound Name6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-(1-pyridin-4-ylpiperidin-4-yl)oxyquinazoline;5-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]-4-methyl-1,3-thiazole;4-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyphenyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline
PubChem CID158739966
Molecular FormulaC153H115Cl2F6N25O5S
Molecular Weight2600.73 g/mol
Exact Mass2597.85
IUPAC Name6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-(1-pyridin-4-ylpiperidin-4-yl)oxyquinazoline;5-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]-4-methyl-1,3-thiazole;4-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyphenyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline
SMILESCc1cc(-c2ncccc2-c2ccc3ncnc(OC4CCN(c5ccncc5)CC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(OCCc4scnc4C)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(Oc4ccc5ncccc5c4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(Oc4cccc(N5CCOCC5)c4)c3c2)ccc1F.Nc1ncnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc12.Nc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12
InChIInChI=1S/C30H26FN5O.C30H25FN4O2.C29H19FN4O.C26H21FN4OS.2C19H12ClFN4/c1-20-17-22(4-6-27(20)31)29-25(3-2-12-33-29)21-5-7-28-26(18-21)30(35-19-34-28)37-24-10-15-36(16-11-24)23-8-13-32-14-9-23;1-20-16-22(7-9-27(20)31)29-25(6-3-11-32-29)21-8-10-28-26(17-21)30(34-19-33-28)37-24-5-2-4-23(18-24)35-12-14-36-15-13-35;1-18-14-21(6-9-25(18)30)28-23(5-3-13-32-28)19-7-10-27-24(16-19)29(34-17-33-27)35-22-8-11-26-20(15-22)4-2-12-31-26;1-16-12-19(5-7-22(16)27)25-20(4-3-10-28-25)18-6-8-23-21(13-18)26(30-14-29-23)32-11-9-24-17(2)31-15-33-24;20-12-4-5-16(21)14(9-12)18-13(2-1-7-23-18)11-3-6-17-15(8-11)19(22)25-10-24-17;20-15-9-12(3-5-16(15)21)18-13(2-1-7-23-18)11-4-6-17-14(8-11)19(22)25-10-24-17/h2-9,12-14,17-19,24H,10-11,15-16H2,1H3;2-11,16-19H,12-15H2,1H3;2-17H,1H3;3-8,10,12-15H,9,11H2,1-2H3;2*1-10H,(H2,22,24,25)
InChIKeyIMDYJPXBYZRQPI-UHFFFAOYSA-N
XLogP35.49
TPSA375.36 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002600.73
LogP ≤ 535.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1031

Analyze 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-(1-pyridin-4-ylpiperidin-4-yl)oxyquinazoline;5-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]-4-methyl-1,3-thiazole;4-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyphenyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-(1-pyridin-4-ylpiperidin-4-yl)oxyquinazoline;5-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]-4-methyl-1,3-thiazole;4-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyphenyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline?
The IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-(1-pyridin-4-ylpiperidin-4-yl)oxyquinazoline;5-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]-4-methyl-1,3-thiazole;4-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyphenyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline (CID 158739966) is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-(1-pyridin-4-ylpiperidin-4-yl)oxyquinazoline;5-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]-4-methyl-1,3-thiazole;4-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyphenyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline.
What is the SMILES notation for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-(1-pyridin-4-ylpiperidin-4-yl)oxyquinazoline;5-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]-4-methyl-1,3-thiazole;4-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyphenyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline?
The canonical SMILES for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-(1-pyridin-4-ylpiperidin-4-yl)oxyquinazoline;5-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]-4-methyl-1,3-thiazole;4-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyphenyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline is Cc1cc(-c2ncccc2-c2ccc3ncnc(OC4CCN(c5ccncc5)CC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(OCCc4scnc4C)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(Oc4ccc5ncccc5c4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(Oc4cccc(N5CCOCC5)c4)c3c2)ccc1F.Nc1ncnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc12.Nc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12.
What is the InChIKey of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-(1-pyridin-4-ylpiperidin-4-yl)oxyquinazoline;5-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]-4-methyl-1,3-thiazole;4-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyphenyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline?
The InChIKey is IMDYJPXBYZRQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN5O.C30H25FN4O2.C29H19FN4O.C26H21FN4OS.2C19H12ClFN4/c1-20-17-22(4-6-27(20)31)29-25(3-2-12-33-29)21-5-7-28-26(18-21)30(35-19-34-28)37-24-10-15-36(16-11-24)23-8-13-32-14-9-23;1-20-16-22(7-9-27(20)31)29-25(6-3-11-32-29)21-8-10-28-26(17-21)30(34-19-33-28)37-24-5-2-4-23(18-24)35-12-14-36-15-13-35;1-18-14-21(6-9-25(18)30)28-23(5-3-13-32-28)19-7-10-27-24(16-19)29(34-17-33-27)35-22-8-11-26-20(15-22)4-2-12-31-26;1-16-12-19(5-7-22(16)27)25-20(4-3-10-28-25)18-6-8-23-21(13-18)26(30-14-29-23)32-11-9-24-17(2)31-15-33-24;20-12-4-5-16(21)14(9-12)18-13(2-1-7-23-18)11-3-6-17-15(8-11)19(22)25-10-24-17;20-15-9-12(3-5-16(15)21)18-13(2-1-7-23-18)11-4-6-17-14(8-11)19(22)25-10-24-17/h2-9,12-14,17-19,24H,10-11,15-16H2,1H3;2-11,16-19H,12-15H2,1H3;2-17H,1H3;3-8,10,12-15H,9,11H2,1-2H3;2*1-10H,(H2,22,24,25).
What are the key properties of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-(1-pyridin-4-ylpiperidin-4-yl)oxyquinazoline;5-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]-4-methyl-1,3-thiazole;4-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyphenyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline?
6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-(1-pyridin-4-ylpiperidin-4-yl)oxyquinazoline;5-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]-4-methyl-1,3-thiazole;4-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyphenyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline has a molecular weight of 2600.73 g/mol, XLogP of 35.49, 24 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-(1-pyridin-4-ylpiperidin-4-yl)oxyquinazoline;5-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]-4-methyl-1,3-thiazole;4-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyphenyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline is sourced from PubChem (CID 158739966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).