1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-piperidin-1-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-pyrimidin-2-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(3-pyrrolidin-1-ylbut-3-enylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-2H-benzotriazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one

C155H175Cl5F5N43O8 — CID 159598309

About 1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-piperidin-1-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-pyrimidin-2-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(3-pyrrolidin-1-ylbut-3-enylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-2H-benzotriazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one

1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-piperidin-1-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-pyrimidin-2-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(3-pyrrolidin-1-ylbut-3-enylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-2H-benzotriazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one (PubChem CID 159598309) has the molecular formula C155H175Cl5F5N43O8 and a molecular weight of 3040.65 g/mol. Its IUPAC name is 1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-piperidin-1-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-pyrimidin-2-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(3-pyrrolidin-1-ylbut-3-enylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-2H-benzotriazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-piperidin-1-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-pyrimidin-2-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(3-pyrrolidin-1-ylbut-3-enylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-2H-benzotriazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
• PubChem CID: 159598309
• Molecular Formula: C155H175Cl5F5N43O8
• Molecular Weight: 3040.65 g/mol
• Exact Mass: 3036.30
• IUPAC Name: 1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-piperidin-1-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-pyrimidin-2-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(3-pyrrolidin-1-ylbut-3-enylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-2H-benzotriazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1C[C@H](C)N(c2nc(N3CC(N(C)C)C3)nc3c(F)c(-c4c(C)ccc5[nH]nc(N)c45)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(N3CC(N(C)C)C3)nc3c(F)c(-c4c(C)ccc5n[nH]nc45)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(NCCC(=C)N3CCCC3)nc3c(F)c(-c4c(C)ccc5onc(N)c45)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(NCCN3CCCCC3)nc3c(F)c(-c4c(C)ccc5onc(N)c45)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(NCCc3ncccn3)nc3c(F)c(-c4c(C)ccc5onc(N)c45)c(Cl)cc23)C[C@H]1C
• InChI: InChI=1S/C33H38ClFN8O2.C32H38ClFN8O2.C31H31ClFN9O2.C30H35ClFN9O.C29H33ClFN9O/c1-6-25(44)42-16-21(5)43(17-20(42)4)32-22-15-23(34)27(26-18(2)9-10-24-28(26)31(36)40-45-24)29(35)30(22)38-33(39-32)37-12-11-19(3)41-13-7-8-14-41;1-5-24(43)41-16-20(4)42(17-19(41)3)31-21-15-22(33)26(25-18(2)9-10-23-27(25)30(35)39-44-23)28(34)29(21)37-32(38-31)36-11-14-40-12-7-6-8-13-40;1-5-23(43)41-14-18(4)42(15-17(41)3)30-19-13-20(32)25(24-16(2)7-8-21-26(24)29(34)40-44-21)27(33)28(19)38-31(39-30)37-12-9-22-35-10-6-11-36-22;1-7-22(42)40-11-17(4)41(12-16(40)3)29-19-10-20(31)24(23-15(2)8-9-21-25(23)28(33)37-36-21)26(32)27(19)34-30(35-29)39-13-18(14-39)38(5)6;1-7-22(41)39-11-17(4)40(12-16(39)3)28-19-10-20(30)24(23-15(2)8-9-21-27(23)35-36-34-21)25(31)26(19)32-29(33-28)38-13-18(14-38)37(5)6/h6,9-10,15,20-21H,1,3,7-8,11-14,16-17H2,2,4-5H3,(H2,36,40)(H,37,38,39);5,9-10,15,19-20H,1,6-8,11-14,16-17H2,2-4H3,(H2,35,39)(H,36,37,38);5-8,10-11,13,17-18H,1,9,12,14-15H2,2-4H3,(H2,34,40)(H,37,38,39);7-10,16-18H,1,11-14H2,2-6H3,(H3,33,36,37);7-10,16-18H,1,11-14H2,2-6H3,(H,34,35,36)/t20-,21+;19-,20+;17-,18+;2*16-,17+/m11111/s1
• InChIKey: MLDDVPFJTSGJDF-PUGDBPOLSA-N
• XLogP: 25.20
• TPSA: 580.38 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 44
• Rotatable Bonds: 32
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3040.65
LogP ≤ 5	25.20
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-piperidin-1-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-pyrimidin-2-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(3-pyrrolidin-1-ylbut-3-enylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-2H-benzotriazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one?

The IUPAC name of 1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-piperidin-1-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-pyrimidin-2-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(3-pyrrolidin-1-ylbut-3-enylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-2H-benzotriazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one (CID 159598309) is 1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-piperidin-1-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-pyrimidin-2-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(3-pyrrolidin-1-ylbut-3-enylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-2H-benzotriazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-piperidin-1-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-pyrimidin-2-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(3-pyrrolidin-1-ylbut-3-enylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-2H-benzotriazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one?

The canonical SMILES for 1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-piperidin-1-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-pyrimidin-2-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(3-pyrrolidin-1-ylbut-3-enylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-2H-benzotriazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1C[C@H](C)N(c2nc(N3CC(N(C)C)C3)nc3c(F)c(-c4c(C)ccc5[nH]nc(N)c45)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(N3CC(N(C)C)C3)nc3c(F)c(-c4c(C)ccc5n[nH]nc45)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(NCCC(=C)N3CCCC3)nc3c(F)c(-c4c(C)ccc5onc(N)c45)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(NCCN3CCCCC3)nc3c(F)c(-c4c(C)ccc5onc(N)c45)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(NCCc3ncccn3)nc3c(F)c(-c4c(C)ccc5onc(N)c45)c(Cl)cc23)C[C@H]1C.

What is the InChIKey of 1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-piperidin-1-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-pyrimidin-2-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(3-pyrrolidin-1-ylbut-3-enylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-2H-benzotriazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one?

The InChIKey is MLDDVPFJTSGJDF-PUGDBPOLSA-N. The full InChI is InChI=1S/C33H38ClFN8O2.C32H38ClFN8O2.C31H31ClFN9O2.C30H35ClFN9O.C29H33ClFN9O/c1-6-25(44)42-16-21(5)43(17-20(42)4)32-22-15-23(34)27(26-18(2)9-10-24-28(26)31(36)40-45-24)29(35)30(22)38-33(39-32)37-12-11-19(3)41-13-7-8-14-41;1-5-24(43)41-16-20(4)42(17-19(41)3)31-21-15-22(33)26(25-18(2)9-10-23-27(25)30(35)39-44-23)28(34)29(21)37-32(38-31)36-11-14-40-12-7-6-8-13-40;1-5-23(43)41-14-18(4)42(15-17(41)3)30-19-13-20(32)25(24-16(2)7-8-21-26(24)29(34)40-44-21)27(33)28(19)38-31(39-30)37-12-9-22-35-10-6-11-36-22;1-7-22(42)40-11-17(4)41(12-16(40)3)29-19-10-20(31)24(23-15(2)8-9-21-25(23)28(33)37-36-21)26(32)27(19)34-30(35-29)39-13-18(14-39)38(5)6;1-7-22(41)39-11-17(4)40(12-16(39)3)28-19-10-20(30)24(23-15(2)8-9-21-27(23)35-36-34-21)25(31)26(19)32-29(33-28)38-13-18(14-38)37(5)6/h6,9-10,15,20-21H,1,3,7-8,11-14,16-17H2,2,4-5H3,(H2,36,40)(H,37,38,39);5,9-10,15,19-20H,1,6-8,11-14,16-17H2,2-4H3,(H2,35,39)(H,36,37,38);5-8,10-11,13,17-18H,1,9,12,14-15H2,2-4H3,(H2,34,40)(H,37,38,39);7-10,16-18H,1,11-14H2,2-6H3,(H3,33,36,37);7-10,16-18H,1,11-14H2,2-6H3,(H,34,35,36)/t20-,21+;19-,20+;17-,18+;2*16-,17+/m11111/s1.

What are the key properties of 1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-piperidin-1-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-pyrimidin-2-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(3-pyrrolidin-1-ylbut-3-enylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-2H-benzotriazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one?

1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-piperidin-1-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-pyrimidin-2-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(3-pyrrolidin-1-ylbut-3-enylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-2H-benzotriazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one has a molecular weight of 3040.65 g/mol, XLogP of 25.20, 32 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-piperidin-1-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(2-pyrimidin-2-ylethylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1,2-benzoxazol-4-yl)-6-chloro-8-fluoro-2-(3-pyrrolidin-1-ylbut-3-enylamino)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-2H-benzotriazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 159598309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).