2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine

C162H150Cl5F4N27O23P2 — CID 157387173

IUPAC2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
SMILESCN(C)CC(=O)OC[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.C[C@@H]1N=C(Cc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)O[C@H]1C.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=N[C@@H](C)[C@H](C)O5)cc34)cc2C)cn1.O=P(O)(O)OCC[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.O=P(O)(O)OC[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.OC[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1
InChIInChI=1S/C30H29ClFN5O4.C27H25ClFN4O6P.C27H27N5O2.C26H23ClFN4O6P.C26H22ClFN4O3.C26H24ClN5O2/c1-37(2)14-29(38)41-17-23-16-40-28(35-23)12-19-6-8-26-24(11-19)30(34-18-33-26)36-22-7-9-27(25(31)13-22)39-15-20-4-3-5-21(32)10-20;28-23-13-20(5-7-25(23)37-14-18-2-1-3-19(29)10-18)33-27-22-11-17(4-6-24(22)30-16-31-27)12-26-32-21(15-38-26)8-9-39-40(34,35)36;1-16-11-21(7-10-25(16)34-22-8-5-17(2)28-14-22)32-27-23-12-20(6-9-24(23)29-15-30-27)13-26-31-18(3)19(4)33-26;27-22-11-19(5-7-24(22)36-12-17-2-1-3-18(28)8-17)32-26-21-9-16(4-6-23(21)29-15-30-26)10-25-31-20(13-37-25)14-38-39(33,34)35;27-22-11-19(5-7-24(22)34-13-17-2-1-3-18(28)8-17)32-26-21-9-16(4-6-23(21)29-15-30-26)10-25-31-20(12-33)14-35-25;1-16-17(2)34-25(31-16)12-18-6-8-23-21(11-18)26(30-15-29-23)32-19-7-9-24(22(27)13-19)33-14-20-5-3-4-10-28-20/h3-11,13,18,23H,12,14-17H2,1-2H3,(H,33,34,36);1-7,10-11,13,16,21H,8-9,12,14-15H2,(H,30,31,33)(H2,34,35,36);5-12,14-15,18-19H,13H2,1-4H3,(H,29,30,32);1-9,11,15,20H,10,12-14H2,(H,29,30,32)(H2,33,34,35);1-9,11,15,20,33H,10,12-14H2,(H,29,30,32);3-11,13,15-17H,12,14H2,1-2H3,(H,29,30,32)/t23-;21-;18-,19-;2*20-;16-,17-/m100100/s1
InChIKeyBLOOPJRAAIWNSG-QIZWCYDGSA-N
MW3158.35 g/mol
LogP32.72
Rot. Bonds53

About 2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine

2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine (PubChem CID 157387173) has the molecular formula C162H150Cl5F4N27O23P2 and a molecular weight of 3158.35 g/mol. Its IUPAC name is 2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
PubChem CID157387173
Molecular FormulaC162H150Cl5F4N27O23P2
Molecular Weight3158.35 g/mol
Exact Mass3153.93
IUPAC Name2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
SMILESCN(C)CC(=O)OC[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.C[C@@H]1N=C(Cc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)O[C@H]1C.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=N[C@@H](C)[C@H](C)O5)cc34)cc2C)cn1.O=P(O)(O)OCC[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.O=P(O)(O)OC[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.OC[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1
InChIInChI=1S/C30H29ClFN5O4.C27H25ClFN4O6P.C27H27N5O2.C26H23ClFN4O6P.C26H22ClFN4O3.C26H24ClN5O2/c1-37(2)14-29(38)41-17-23-16-40-28(35-23)12-19-6-8-26-24(11-19)30(34-18-33-26)36-22-7-9-27(25(31)13-22)39-15-20-4-3-5-21(32)10-20;28-23-13-20(5-7-25(23)37-14-18-2-1-3-19(29)10-18)33-27-22-11-17(4-6-24(22)30-16-31-27)12-26-32-21(15-38-26)8-9-39-40(34,35)36;1-16-11-21(7-10-25(16)34-22-8-5-17(2)28-14-22)32-27-23-12-20(6-9-24(23)29-15-30-27)13-26-31-18(3)19(4)33-26;27-22-11-19(5-7-24(22)36-12-17-2-1-3-18(28)8-17)32-26-21-9-16(4-6-23(21)29-15-30-26)10-25-31-20(13-37-25)14-38-39(33,34)35;27-22-11-19(5-7-24(22)34-13-17-2-1-3-18(28)8-17)32-26-21-9-16(4-6-23(21)29-15-30-26)10-25-31-20(12-33)14-35-25;1-16-17(2)34-25(31-16)12-18-6-8-23-21(11-18)26(30-15-29-23)32-19-7-9-24(22(27)13-19)33-14-20-5-3-4-10-28-20/h3-11,13,18,23H,12,14-17H2,1-2H3,(H,33,34,36);1-7,10-11,13,16,21H,8-9,12,14-15H2,(H,30,31,33)(H2,34,35,36);5-12,14-15,18-19H,13H2,1-4H3,(H,29,30,32);1-9,11,15,20H,10,12-14H2,(H,29,30,32)(H2,33,34,35);1-9,11,15,20,33H,10,12-14H2,(H,29,30,32);3-11,13,15-17H,12,14H2,1-2H3,(H,29,30,32)/t23-;21-;18-,19-;2*20-;16-,17-/m100100/s1
InChIKeyBLOOPJRAAIWNSG-QIZWCYDGSA-N
XLogP32.72
TPSA620.85 Ų
H-Bond Donors11
H-Bond Acceptors46
Rotatable Bonds53
Heavy Atoms223
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003158.35
LogP ≤ 532.72
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze 2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?
The IUPAC name of 2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine (CID 157387173) is 2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine.
What is the SMILES notation for 2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?
The canonical SMILES for 2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine is CN(C)CC(=O)OC[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.C[C@@H]1N=C(Cc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)O[C@H]1C.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=N[C@@H](C)[C@H](C)O5)cc34)cc2C)cn1.O=P(O)(O)OCC[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.O=P(O)(O)OC[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.OC[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.
What is the InChIKey of 2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?
The InChIKey is BLOOPJRAAIWNSG-QIZWCYDGSA-N. The full InChI is InChI=1S/C30H29ClFN5O4.C27H25ClFN4O6P.C27H27N5O2.C26H23ClFN4O6P.C26H22ClFN4O3.C26H24ClN5O2/c1-37(2)14-29(38)41-17-23-16-40-28(35-23)12-19-6-8-26-24(11-19)30(34-18-33-26)36-22-7-9-27(25(31)13-22)39-15-20-4-3-5-21(32)10-20;28-23-13-20(5-7-25(23)37-14-18-2-1-3-19(29)10-18)33-27-22-11-17(4-6-24(22)30-16-31-27)12-26-32-21(15-38-26)8-9-39-40(34,35)36;1-16-11-21(7-10-25(16)34-22-8-5-17(2)28-14-22)32-27-23-12-20(6-9-24(23)29-15-30-27)13-26-31-18(3)19(4)33-26;27-22-11-19(5-7-24(22)36-12-17-2-1-3-18(28)8-17)32-26-21-9-16(4-6-23(21)29-15-30-26)10-25-31-20(13-37-25)14-38-39(33,34)35;27-22-11-19(5-7-24(22)34-13-17-2-1-3-18(28)8-17)32-26-21-9-16(4-6-23(21)29-15-30-26)10-25-31-20(12-33)14-35-25;1-16-17(2)34-25(31-16)12-18-6-8-23-21(11-18)26(30-15-29-23)32-19-7-9-24(22(27)13-19)33-14-20-5-3-4-10-28-20/h3-11,13,18,23H,12,14-17H2,1-2H3,(H,33,34,36);1-7,10-11,13,16,21H,8-9,12,14-15H2,(H,30,31,33)(H2,34,35,36);5-12,14-15,18-19H,13H2,1-4H3,(H,29,30,32);1-9,11,15,20H,10,12-14H2,(H,29,30,32)(H2,33,34,35);1-9,11,15,20,33H,10,12-14H2,(H,29,30,32);3-11,13,15-17H,12,14H2,1-2H3,(H,29,30,32)/t23-;21-;18-,19-;2*20-;16-,17-/m100100/s1.
What are the key properties of 2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?
2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine has a molecular weight of 3158.35 g/mol, XLogP of 32.72, 53 rotatable bonds, 11 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine is sourced from PubChem (CID 157387173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).