N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(4-fluoro-2-methoxyphenyl)quinazolin-2-amine;8-(4-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(5-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine

C112H111F6N17O7 — CID 159319998

IUPACN-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(4-fluoro-2-methoxyphenyl)quinazolin-2-amine;8-(4-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(5-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine
SMILESCOc1cc(C(F)(F)F)ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12.COc1cc(F)ccc1-c1cccc2cnc(Nc3cc(C4CCCCC4)nn3C(C)C)nc12.COc1cc(F)ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12.COc1ccc(F)cc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12
InChIInChI=1S/C29H27F3N4O2.2C28H27FN4O2.C27H30FN5O/c1-37-25-15-19(29(30,31)32)5-6-21(25)22-4-2-3-18-16-34-28(36-26(18)22)35-24-8-7-20(17-9-12-33-13-10-17)23-11-14-38-27(23)24;1-34-25-8-5-19(29)15-23(25)21-4-2-3-18-16-31-28(33-26(18)21)32-24-7-6-20(17-9-12-30-13-10-17)22-11-14-35-27(22)24;1-34-25-15-19(29)5-6-21(25)22-4-2-3-18-16-31-28(33-26(18)22)32-24-8-7-20(17-9-12-30-13-10-17)23-11-14-35-27(23)24;1-17(2)33-25(15-23(32-33)18-8-5-4-6-9-18)30-27-29-16-19-10-7-11-22(26(19)31-27)21-13-12-20(28)14-24(21)34-3/h2-8,15-17,33H,9-14H2,1H3,(H,34,35,36);2*2-8,15-17,30H,9-14H2,1H3,(H,31,32,33);7,10-18H,4-6,8-9H2,1-3H3,(H,29,30,31)
InChIKeyLDQGUQYCSQPAIJ-UHFFFAOYSA-N
MW1921.22 g/mol
LogP24.66
Rot. Bonds21

About N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(4-fluoro-2-methoxyphenyl)quinazolin-2-amine;8-(4-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(5-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine

N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(4-fluoro-2-methoxyphenyl)quinazolin-2-amine;8-(4-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(5-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine (PubChem CID 159319998) has the molecular formula C112H111F6N17O7 and a molecular weight of 1921.22 g/mol. Its IUPAC name is N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(4-fluoro-2-methoxyphenyl)quinazolin-2-amine;8-(4-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(5-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-[2-methoxy-4-(trifluoromethyl)phenyl]-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)-8-(4-fluoro-2-methoxyphenyl)quinazolin-2-amine;8-(4-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(5-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine
PubChem CID159319998
Molecular FormulaC112H111F6N17O7
Molecular Weight1921.22 g/mol
Exact Mass1919.88
IUPAC NameN-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(4-fluoro-2-methoxyphenyl)quinazolin-2-amine;8-(4-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(5-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine
SMILESCOc1cc(C(F)(F)F)ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12.COc1cc(F)ccc1-c1cccc2cnc(Nc3cc(C4CCCCC4)nn3C(C)C)nc12.COc1cc(F)ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12.COc1ccc(F)cc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12
InChIInChI=1S/C29H27F3N4O2.2C28H27FN4O2.C27H30FN5O/c1-37-25-15-19(29(30,31)32)5-6-21(25)22-4-2-3-18-16-34-28(36-26(18)22)35-24-8-7-20(17-9-12-33-13-10-17)23-11-14-38-27(23)24;1-34-25-8-5-19(29)15-23(25)21-4-2-3-18-16-31-28(33-26(18)21)32-24-7-6-20(17-9-12-30-13-10-17)22-11-14-35-27(22)24;1-34-25-15-19(29)5-6-21(25)22-4-2-3-18-16-31-28(33-26(18)22)32-24-8-7-20(17-9-12-30-13-10-17)23-11-14-35-27(23)24;1-17(2)33-25(15-23(32-33)18-8-5-4-6-9-18)30-27-29-16-19-10-7-11-22(26(19)31-27)21-13-12-20(28)14-24(21)34-3/h2-8,15-17,33H,9-14H2,1H3,(H,34,35,36);2*2-8,15-17,30H,9-14H2,1H3,(H,31,32,33);7,10-18H,4-6,8-9H2,1-3H3,(H,29,30,31)
InChIKeyLDQGUQYCSQPAIJ-UHFFFAOYSA-N
XLogP24.66
TPSA269.76 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001921.22
LogP ≤ 524.66
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(4-fluoro-2-methoxyphenyl)quinazolin-2-amine;8-(4-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(5-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[2-Methoxy-4-(trifluoromethyl)phenyl])-N-[4-(piperidin-4-yl)-2,3-dihydro-1-benzofuran-7-yl]quinazolin-2-amine
CID 122648737
6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)-8-phenylmethoxyquinazoline
CID 176514202
US20240150366, Example 2
CID 164875461
US20240150366, Example 4
CID 164875462
US20240150366, Example 6
CID 164875467
US20240150366, Example 15
CID 164875474
US20240150366, Example 18
CID 164875476
US20240150366, Example 13
CID 164875478
US20240150366, Example 16
CID 164875480
US20240150366, Example 14
CID 164875484
US20240150366, Example 19
CID 164875486
US20240150366, Example 3
CID 164875488

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(4-fluoro-2-methoxyphenyl)quinazolin-2-amine;8-(4-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(5-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-[2-methoxy-4-(trifluoromethyl)phenyl]-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)-8-(4-fluoro-2-methoxyphenyl)quinazolin-2-amine;8-(4-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(5-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine (CID 159319998) is N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(4-fluoro-2-methoxyphenyl)quinazolin-2-amine;8-(4-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(5-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-[2-methoxy-4-(trifluoromethyl)phenyl]-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)-8-(4-fluoro-2-methoxyphenyl)quinazolin-2-amine;8-(4-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(5-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-[2-methoxy-4-(trifluoromethyl)phenyl]-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)-8-(4-fluoro-2-methoxyphenyl)quinazolin-2-amine;8-(4-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(5-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine is COc1cc(C(F)(F)F)ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12.COc1cc(F)ccc1-c1cccc2cnc(Nc3cc(C4CCCCC4)nn3C(C)C)nc12.COc1cc(F)ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12.COc1ccc(F)cc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12.
What is the InChIKey of N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(4-fluoro-2-methoxyphenyl)quinazolin-2-amine;8-(4-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(5-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine?
The InChIKey is LDQGUQYCSQPAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F3N4O2.2C28H27FN4O2.C27H30FN5O/c1-37-25-15-19(29(30,31)32)5-6-21(25)22-4-2-3-18-16-34-28(36-26(18)22)35-24-8-7-20(17-9-12-33-13-10-17)23-11-14-38-27(23)24;1-34-25-8-5-19(29)15-23(25)21-4-2-3-18-16-31-28(33-26(18)21)32-24-7-6-20(17-9-12-30-13-10-17)22-11-14-35-27(22)24;1-34-25-15-19(29)5-6-21(25)22-4-2-3-18-16-31-28(33-26(18)22)32-24-8-7-20(17-9-12-30-13-10-17)23-11-14-35-27(23)24;1-17(2)33-25(15-23(32-33)18-8-5-4-6-9-18)30-27-29-16-19-10-7-11-22(26(19)31-27)21-13-12-20(28)14-24(21)34-3/h2-8,15-17,33H,9-14H2,1H3,(H,34,35,36);2*2-8,15-17,30H,9-14H2,1H3,(H,31,32,33);7,10-18H,4-6,8-9H2,1-3H3,(H,29,30,31).
What are the key properties of N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(4-fluoro-2-methoxyphenyl)quinazolin-2-amine;8-(4-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(5-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine?
N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(4-fluoro-2-methoxyphenyl)quinazolin-2-amine;8-(4-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(5-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine has a molecular weight of 1921.22 g/mol, XLogP of 24.66, 21 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(4-fluoro-2-methoxyphenyl)quinazolin-2-amine;8-(4-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(5-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine is sourced from PubChem (CID 159319998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).