N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;6-fluoro-8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine

C140H148F2N22O8 — CID 157423068

IUPACN-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;6-fluoro-8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine
SMILESCOc1ccccc1-c1cc(F)cc2cnc(Nc3cc(C4CCCCC4)nn3C(C)C)nc12.COc1ccccc1-c1cc(F)cc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12.COc1ccccc1-c1cccc2cnc(Nc3cc(C4CCCCC4)nn3C(C)C)nc12.COc1ccccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OC(C)(C)C4)nc12.COc1ccccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12
InChIInChI=1S/C30H32N4O2.C28H27FN4O2.C28H28N4O2.C27H30FN5O.C27H31N5O/c1-30(2)17-24-21(19-13-15-31-16-14-19)11-12-25(28(24)36-30)33-29-32-18-20-7-6-9-23(27(20)34-29)22-8-4-5-10-26(22)35-3;1-34-25-5-3-2-4-21(25)23-15-19(29)14-18-16-31-28(33-26(18)23)32-24-7-6-20(17-8-11-30-12-9-17)22-10-13-35-27(22)24;1-33-25-8-3-2-6-21(25)22-7-4-5-19-17-30-28(32-26(19)22)31-24-10-9-20(18-11-14-29-15-12-18)23-13-16-34-27(23)24;1-17(2)33-25(15-23(32-33)18-9-5-4-6-10-18)30-27-29-16-19-13-20(28)14-22(26(19)31-27)21-11-7-8-12-24(21)34-3;1-18(2)32-25(16-23(31-32)19-10-5-4-6-11-19)29-27-28-17-20-12-9-14-22(26(20)30-27)21-13-7-8-15-24(21)33-3/h4-12,18-19,31H,13-17H2,1-3H3,(H,32,33,34);2-7,14-17,30H,8-13H2,1H3,(H,31,32,33);2-10,17-18,29H,11-16H2,1H3,(H,30,31,32);7-8,11-18H,4-6,9-10H2,1-3H3,(H,29,30,31);7-9,12-19H,4-6,10-11H2,1-3H3,(H,28,29,30)
InChIKeyBPQIBNUTPQFFRB-UHFFFAOYSA-N
MW2304.87 g/mol
LogP31.16
Rot. Bonds27

About N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;6-fluoro-8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine

N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;6-fluoro-8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine (PubChem CID 157423068) has the molecular formula C140H148F2N22O8 and a molecular weight of 2304.87 g/mol. Its IUPAC name is N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;6-fluoro-8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;6-fluoro-8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine
PubChem CID157423068
Molecular FormulaC140H148F2N22O8
Molecular Weight2304.87 g/mol
Exact Mass2303.18
IUPAC NameN-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;6-fluoro-8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine
SMILESCOc1ccccc1-c1cc(F)cc2cnc(Nc3cc(C4CCCCC4)nn3C(C)C)nc12.COc1ccccc1-c1cc(F)cc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12.COc1ccccc1-c1cccc2cnc(Nc3cc(C4CCCCC4)nn3C(C)C)nc12.COc1ccccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OC(C)(C)C4)nc12.COc1ccccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12
InChIInChI=1S/C30H32N4O2.C28H27FN4O2.C28H28N4O2.C27H30FN5O.C27H31N5O/c1-30(2)17-24-21(19-13-15-31-16-14-19)11-12-25(28(24)36-30)33-29-32-18-20-7-6-9-23(27(20)34-29)22-8-4-5-10-26(22)35-3;1-34-25-5-3-2-4-21(25)23-15-19(29)14-18-16-31-28(33-26(18)23)32-24-7-6-20(17-8-11-30-12-9-17)22-10-13-35-27(22)24;1-33-25-8-3-2-6-21(25)22-7-4-5-19-17-30-28(32-26(19)22)31-24-10-9-20(18-11-14-29-15-12-18)23-13-16-34-27(23)24;1-17(2)33-25(15-23(32-33)18-9-5-4-6-10-18)30-27-29-16-19-13-20(28)14-22(26(19)31-27)21-11-7-8-12-24(21)34-3;1-18(2)32-25(16-23(31-32)19-10-5-4-6-11-19)29-27-28-17-20-12-9-14-22(26(20)30-27)21-13-7-8-15-24(21)33-3/h4-12,18-19,31H,13-17H2,1-3H3,(H,32,33,34);2-7,14-17,30H,8-13H2,1H3,(H,31,32,33);2-10,17-18,29H,11-16H2,1H3,(H,30,31,32);7-8,11-18H,4-6,9-10H2,1-3H3,(H,29,30,31);7-9,12-19H,4-6,10-11H2,1-3H3,(H,28,29,30)
InChIKeyBPQIBNUTPQFFRB-UHFFFAOYSA-N
XLogP31.16
TPSA334.62 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms172
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002304.87
LogP ≤ 531.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Analyze N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;6-fluoro-8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;6-fluoro-8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine?
The IUPAC name of N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;6-fluoro-8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine (CID 157423068) is N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;6-fluoro-8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine.
What is the SMILES notation for N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;6-fluoro-8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine?
The canonical SMILES for N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;6-fluoro-8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine is COc1ccccc1-c1cc(F)cc2cnc(Nc3cc(C4CCCCC4)nn3C(C)C)nc12.COc1ccccc1-c1cc(F)cc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12.COc1ccccc1-c1cccc2cnc(Nc3cc(C4CCCCC4)nn3C(C)C)nc12.COc1ccccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OC(C)(C)C4)nc12.COc1ccccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12.
What is the InChIKey of N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;6-fluoro-8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine?
The InChIKey is BPQIBNUTPQFFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2.C28H27FN4O2.C28H28N4O2.C27H30FN5O.C27H31N5O/c1-30(2)17-24-21(19-13-15-31-16-14-19)11-12-25(28(24)36-30)33-29-32-18-20-7-6-9-23(27(20)34-29)22-8-4-5-10-26(22)35-3;1-34-25-5-3-2-4-21(25)23-15-19(29)14-18-16-31-28(33-26(18)23)32-24-7-6-20(17-8-11-30-12-9-17)22-10-13-35-27(22)24;1-33-25-8-3-2-6-21(25)22-7-4-5-19-17-30-28(32-26(19)22)31-24-10-9-20(18-11-14-29-15-12-18)23-13-16-34-27(23)24;1-17(2)33-25(15-23(32-33)18-9-5-4-6-10-18)30-27-29-16-19-13-20(28)14-22(26(19)31-27)21-11-7-8-12-24(21)34-3;1-18(2)32-25(16-23(31-32)19-10-5-4-6-11-19)29-27-28-17-20-12-9-14-22(26(20)30-27)21-13-7-8-15-24(21)33-3/h4-12,18-19,31H,13-17H2,1-3H3,(H,32,33,34);2-7,14-17,30H,8-13H2,1H3,(H,31,32,33);2-10,17-18,29H,11-16H2,1H3,(H,30,31,32);7-8,11-18H,4-6,9-10H2,1-3H3,(H,29,30,31);7-9,12-19H,4-6,10-11H2,1-3H3,(H,28,29,30).
What are the key properties of N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;6-fluoro-8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine?
N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;6-fluoro-8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine has a molecular weight of 2304.87 g/mol, XLogP of 31.16, 27 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;6-fluoro-8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine is sourced from PubChem (CID 157423068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).