3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-[4-[(E)-but-2-enoyl]piperazin-1-yl]-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-4-[4-(2,2-dihydroxyacetyl)piperazin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;4-[6-chloro-2-[[3-(dimethylamino)-3-oxopropyl]amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazine-1-carboxamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide

C216H234Cl8F13N49O26 — CID 167555882

About 3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-[4-[(E)-but-2-enoyl]piperazin-1-yl]-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-4-[4-(2,2-dihydroxyacetyl)piperazin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;4-[6-chloro-2-[[3-(dimethylamino)-3-oxopropyl]amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazine-1-carboxamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide

3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-[4-[(E)-but-2-enoyl]piperazin-1-yl]-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-4-[4-(2,2-dihydroxyacetyl)piperazin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;4-[6-chloro-2-[[3-(dimethylamino)-3-oxopropyl]amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazine-1-carboxamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide (PubChem CID 167555882) has the molecular formula C216H234Cl8F13N49O26 and a molecular weight of 4463.16 g/mol. Its IUPAC name is 3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-[4-[(E)-but-2-enoyl]piperazin-1-yl]-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-4-[4-(2,2-dihydroxyacetyl)piperazin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;4-[6-chloro-2-[[3-(dimethylamino)-3-oxopropyl]amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazine-1-carboxamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide.

Molecular Properties

• Compound Name: 3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-[4-[(E)-but-2-enoyl]piperazin-1-yl]-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-4-[4-(2,2-dihydroxyacetyl)piperazin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;4-[6-chloro-2-[[3-(dimethylamino)-3-oxopropyl]amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazine-1-carboxamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide
• PubChem CID: 167555882
• Molecular Formula: C216H234Cl8F13N49O26
• Molecular Weight: 4463.16 g/mol
• Exact Mass: 4456.58
• IUPAC Name: 3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-[4-[(E)-but-2-enoyl]piperazin-1-yl]-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-4-[4-(2,2-dihydroxyacetyl)piperazin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;4-[6-chloro-2-[[3-(dimethylamino)-3-oxopropyl]amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazine-1-carboxamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide
• SMILES: C/C=C/C(=O)N1CCN(c2nc(NCCC(=O)N(C)C)nc3c(F)c([C@H]4C=C(O)Cc5ccccc54)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(NCCC(=O)N(C)C)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(NCCC(=O)N(C)C)nc3c(F)c([C@H]4C=C(O)Cc5ccccc54)c(Cl)cc23)CC1.CC(=O)N1CCN(c2nc(NCCC(=O)N(C)C)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.CC(=O)N1CCN(c2nc(NCCC(=O)N(C)C)nc3c(F)c([C@H]4C=C(O)Cc5ccccc54)c(Cl)cc23)CC1.CCC(=O)N1CCN(c2nc(NCCC(=O)N(C)C)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.CN(C)C(=O)CCNc1nc(N2CCN(C(=O)C(O)O)CC2)c2cc(Cl)c(-c3c(O)cccc3F)c(F)c2n1.CN(C)C(=O)CCNc1nc(N2CCN(C(N)=O)CC2)c2cc(Cl)c(-c3c(O)cccc3F)c(F)c2n1
• InChI: InChI=1S/C31H34ClFN6O3.C30H32ClFN6O3.C29H32ClFN6O3.C26H29ClF2N6O3.C26H27ClF2N6O3.C25H27ClF2N6O5.C25H27ClF2N6O3.C24H26ClF2N7O3/c1-4-7-26(42)38-12-14-39(15-13-38)30-23-18-24(32)27(22-17-20(40)16-19-8-5-6-9-21(19)22)28(33)29(23)35-31(36-30)34-11-10-25(41)37(2)3;1-4-24(40)37-11-13-38(14-12-37)29-22-17-23(31)26(21-16-19(39)15-18-7-5-6-8-20(18)21)27(32)28(22)34-30(35-29)33-10-9-25(41)36(2)3;1-17(38)36-10-12-37(13-11-36)28-22-16-23(30)25(21-15-19(39)14-18-6-4-5-7-20(18)21)26(31)27(22)33-29(34-28)32-9-8-24(40)35(2)3;2*1-4-19(37)34-10-12-35(13-11-34)25-15-14-16(27)21(22-17(28)6-5-7-18(22)36)23(29)24(15)31-26(32-25)30-9-8-20(38)33(2)3;1-32(2)17(36)6-7-29-25-30-21-13(22(31-25)33-8-10-34(11-9-33)23(37)24(38)39)12-14(26)18(20(21)28)19-15(27)4-3-5-16(19)35;1-14(35)33-9-11-34(12-10-33)24-15-13-16(26)20(21-17(27)5-4-6-18(21)36)22(28)23(15)30-25(31-24)29-8-7-19(37)32(2)3;1-32(2)17(36)6-7-29-24-30-21-13(22(31-24)33-8-10-34(11-9-33)23(28)37)12-14(25)18(20(21)27)19-15(26)4-3-5-16(19)35/h4-9,17-18,22,40H,10-16H2,1-3H3,(H,34,35,36);4-8,16-17,21,39H,1,9-15H2,2-3H3,(H,33,34,35);4-7,15-16,21,39H,8-14H2,1-3H3,(H,32,33,34);5-7,14,36H,4,8-13H2,1-3H3,(H,30,31,32);4-7,14,36H,1,8-13H2,2-3H3,(H,30,31,32);3-5,12,24,35,38-39H,6-11H2,1-2H3,(H,29,30,31);4-6,13,36H,7-12H2,1-3H3,(H,29,30,31);3-5,12,35H,6-11H2,1-2H3,(H2,28,37)(H,29,30,31)/b7-4+;;;;;;;/t22-;2*21-;;;;;/m000...../s1
• InChIKey: CZVLMKVWNFRGKA-MDMPBVLHSA-N
• XLogP: 28.90
• TPSA: 881.68 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 58
• Rotatable Bonds: 53
• Heavy Atoms: 312
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4463.16
LogP ≤ 5	28.90
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	58

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-[4-[(E)-but-2-enoyl]piperazin-1-yl]-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-4-[4-(2,2-dihydroxyacetyl)piperazin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;4-[6-chloro-2-[[3-(dimethylamino)-3-oxopropyl]amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazine-1-carboxamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide?

The IUPAC name of 3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-[4-[(E)-but-2-enoyl]piperazin-1-yl]-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-4-[4-(2,2-dihydroxyacetyl)piperazin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;4-[6-chloro-2-[[3-(dimethylamino)-3-oxopropyl]amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazine-1-carboxamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide (CID 167555882) is 3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-[4-[(E)-but-2-enoyl]piperazin-1-yl]-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-4-[4-(2,2-dihydroxyacetyl)piperazin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;4-[6-chloro-2-[[3-(dimethylamino)-3-oxopropyl]amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazine-1-carboxamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide.

What is the SMILES notation for 3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-[4-[(E)-but-2-enoyl]piperazin-1-yl]-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-4-[4-(2,2-dihydroxyacetyl)piperazin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;4-[6-chloro-2-[[3-(dimethylamino)-3-oxopropyl]amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazine-1-carboxamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide?

The canonical SMILES for 3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-[4-[(E)-but-2-enoyl]piperazin-1-yl]-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-4-[4-(2,2-dihydroxyacetyl)piperazin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;4-[6-chloro-2-[[3-(dimethylamino)-3-oxopropyl]amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazine-1-carboxamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide is C/C=C/C(=O)N1CCN(c2nc(NCCC(=O)N(C)C)nc3c(F)c([C@H]4C=C(O)Cc5ccccc54)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(NCCC(=O)N(C)C)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(NCCC(=O)N(C)C)nc3c(F)c([C@H]4C=C(O)Cc5ccccc54)c(Cl)cc23)CC1.CC(=O)N1CCN(c2nc(NCCC(=O)N(C)C)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.CC(=O)N1CCN(c2nc(NCCC(=O)N(C)C)nc3c(F)c([C@H]4C=C(O)Cc5ccccc54)c(Cl)cc23)CC1.CCC(=O)N1CCN(c2nc(NCCC(=O)N(C)C)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.CN(C)C(=O)CCNc1nc(N2CCN(C(=O)C(O)O)CC2)c2cc(Cl)c(-c3c(O)cccc3F)c(F)c2n1.CN(C)C(=O)CCNc1nc(N2CCN(C(N)=O)CC2)c2cc(Cl)c(-c3c(O)cccc3F)c(F)c2n1.

What is the InChIKey of 3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-[4-[(E)-but-2-enoyl]piperazin-1-yl]-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-4-[4-(2,2-dihydroxyacetyl)piperazin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;4-[6-chloro-2-[[3-(dimethylamino)-3-oxopropyl]amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazine-1-carboxamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide?

The InChIKey is CZVLMKVWNFRGKA-MDMPBVLHSA-N. The full InChI is InChI=1S/C31H34ClFN6O3.C30H32ClFN6O3.C29H32ClFN6O3.C26H29ClF2N6O3.C26H27ClF2N6O3.C25H27ClF2N6O5.C25H27ClF2N6O3.C24H26ClF2N7O3/c1-4-7-26(42)38-12-14-39(15-13-38)30-23-18-24(32)27(22-17-20(40)16-19-8-5-6-9-21(19)22)28(33)29(23)35-31(36-30)34-11-10-25(41)37(2)3;1-4-24(40)37-11-13-38(14-12-37)29-22-17-23(31)26(21-16-19(39)15-18-7-5-6-8-20(18)21)27(32)28(22)34-30(35-29)33-10-9-25(41)36(2)3;1-17(38)36-10-12-37(13-11-36)28-22-16-23(30)25(21-15-19(39)14-18-6-4-5-7-20(18)21)26(31)27(22)33-29(34-28)32-9-8-24(40)35(2)3;2*1-4-19(37)34-10-12-35(13-11-34)25-15-14-16(27)21(22-17(28)6-5-7-18(22)36)23(29)24(15)31-26(32-25)30-9-8-20(38)33(2)3;1-32(2)17(36)6-7-29-25-30-21-13(22(31-25)33-8-10-34(11-9-33)23(37)24(38)39)12-14(26)18(20(21)28)19-15(27)4-3-5-16(19)35;1-14(35)33-9-11-34(12-10-33)24-15-13-16(26)20(21-17(27)5-4-6-18(21)36)22(28)23(15)30-25(31-24)29-8-7-19(37)32(2)3;1-32(2)17(36)6-7-29-24-30-21-13(22(31-24)33-8-10-34(11-9-33)23(28)37)12-14(25)18(20(21)27)19-15(26)4-3-5-16(19)35/h4-9,17-18,22,40H,10-16H2,1-3H3,(H,34,35,36);4-8,16-17,21,39H,1,9-15H2,2-3H3,(H,33,34,35);4-7,15-16,21,39H,8-14H2,1-3H3,(H,32,33,34);5-7,14,36H,4,8-13H2,1-3H3,(H,30,31,32);4-7,14,36H,1,8-13H2,2-3H3,(H,30,31,32);3-5,12,24,35,38-39H,6-11H2,1-2H3,(H,29,30,31);4-6,13,36H,7-12H2,1-3H3,(H,29,30,31);3-5,12,35H,6-11H2,1-2H3,(H2,28,37)(H,29,30,31)/b7-4+;;;;;;;/t22-;2*21-;;;;;/m000...../s1.

What are the key properties of 3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-[4-[(E)-but-2-enoyl]piperazin-1-yl]-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-4-[4-(2,2-dihydroxyacetyl)piperazin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;4-[6-chloro-2-[[3-(dimethylamino)-3-oxopropyl]amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazine-1-carboxamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide?

3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-[4-[(E)-but-2-enoyl]piperazin-1-yl]-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-4-[4-(2,2-dihydroxyacetyl)piperazin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;4-[6-chloro-2-[[3-(dimethylamino)-3-oxopropyl]amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazine-1-carboxamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide has a molecular weight of 4463.16 g/mol, XLogP of 28.90, 53 rotatable bonds, 19 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[4-[4-[(E)-but-2-enoyl]piperazin-1-yl]-6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-4-[4-(2,2-dihydroxyacetyl)piperazin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;4-[6-chloro-2-[[3-(dimethylamino)-3-oxopropyl]amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazine-1-carboxamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide;3-[[6-chloro-8-fluoro-7-[(1S)-3-hydroxy-1,4-dihydronaphthalen-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 167555882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).