4-chloro-6-methoxy-7-phenylmethoxyquinazoline;cyclopentyl (2S)-2-amino-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[5-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide;methane;N-[5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide

C142H153BrClN29O24 — CID 159528552

IUPAC4-chloro-6-methoxy-7-phenylmethoxyquinazoline;cyclopentyl (2S)-2-amino-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[5-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide;methane;N-[5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide
SMILESC.C.CC(C)(C)OC(=O)N[C@@H](CCBr)C(=O)OC1CCCC1.COc1cc2c(Cl)ncnc2cc1OCc1ccccc1.COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1O.COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OCC[C@H](N)C(=O)OC1CCCC1.COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC1CCCC1.COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OCc1ccccc1
InChIInChI=1S/C34H39N7O7.C29H31N7O5.C27H22N6O3.C20H16N6O3.C16H13ClN2O2.C14H24BrNO4.2CH4/c1-34(2,3)48-33(44)40-25(31(43)47-23-12-8-9-13-23)14-15-46-28-17-26-24(16-27(28)45-4)29(38-20-37-26)39-22-18-35-32(36-19-22)41-30(42)21-10-6-5-7-11-21;1-39-24-13-21-23(14-25(24)40-12-11-22(30)28(38)41-20-9-5-6-10-20)33-17-34-26(21)35-19-15-31-29(32-16-19)36-27(37)18-7-3-2-4-8-18;1-35-23-12-21-22(13-24(23)36-16-18-8-4-2-5-9-18)30-17-31-25(21)32-20-14-28-27(29-15-20)33-26(34)19-10-6-3-7-11-19;1-29-17-7-14-15(8-16(17)27)23-11-24-18(14)25-13-9-21-20(22-10-13)26-19(28)12-5-3-2-4-6-12;1-20-14-7-12-13(18-10-19-16(12)17)8-15(14)21-9-11-5-3-2-4-6-11;1-14(2,3)20-13(18)16-11(8-9-15)12(17)19-10-6-4-5-7-10;;/h5-7,10-11,16-20,23,25H,8-9,12-15H2,1-4H3,(H,40,44)(H,37,38,39)(H,35,36,41,42);2-4,7-8,13-17,20,22H,5-6,9-12,30H2,1H3,(H,33,34,35)(H,31,32,36,37);2-15,17H,16H2,1H3,(H,30,31,32)(H,28,29,33,34);2-11,27H,1H3,(H,23,24,25)(H,21,22,26,28);2-8,10H,9H2,1H3;10-11H,4-9H2,1-3H3,(H,16,18);2*1H4/t25-;22-;;;;11-;;/m00...0../s1
InChIKeyMCRRJLYDYYGCAI-BJDJFMHISA-N
MW2765.32 g/mol
LogP26.01
Rot. Bonds45

About 4-chloro-6-methoxy-7-phenylmethoxyquinazoline;cyclopentyl (2S)-2-amino-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[5-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide;methane;N-[5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide

4-chloro-6-methoxy-7-phenylmethoxyquinazoline;cyclopentyl (2S)-2-amino-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[5-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide;methane;N-[5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide (PubChem CID 159528552) has the molecular formula C142H153BrClN29O24 and a molecular weight of 2765.32 g/mol. Its IUPAC name is 4-chloro-6-methoxy-7-phenylmethoxyquinazoline;cyclopentyl (2S)-2-amino-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[5-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide;methane;N-[5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-6-methoxy-7-phenylmethoxyquinazoline;cyclopentyl (2S)-2-amino-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[5-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide;methane;N-[5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide
PubChem CID159528552
Molecular FormulaC142H153BrClN29O24
Molecular Weight2765.32 g/mol
Exact Mass2762.05
IUPAC Name4-chloro-6-methoxy-7-phenylmethoxyquinazoline;cyclopentyl (2S)-2-amino-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[5-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide;methane;N-[5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide
SMILESC.C.CC(C)(C)OC(=O)N[C@@H](CCBr)C(=O)OC1CCCC1.COc1cc2c(Cl)ncnc2cc1OCc1ccccc1.COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1O.COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OCC[C@H](N)C(=O)OC1CCCC1.COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC1CCCC1.COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OCc1ccccc1
InChIInChI=1S/C34H39N7O7.C29H31N7O5.C27H22N6O3.C20H16N6O3.C16H13ClN2O2.C14H24BrNO4.2CH4/c1-34(2,3)48-33(44)40-25(31(43)47-23-12-8-9-13-23)14-15-46-28-17-26-24(16-27(28)45-4)29(38-20-37-26)39-22-18-35-32(36-19-22)41-30(42)21-10-6-5-7-11-21;1-39-24-13-21-23(14-25(24)40-12-11-22(30)28(38)41-20-9-5-6-10-20)33-17-34-26(21)35-19-15-31-29(32-16-19)36-27(37)18-7-3-2-4-8-18;1-35-23-12-21-22(13-24(23)36-16-18-8-4-2-5-9-18)30-17-31-25(21)32-20-14-28-27(29-15-20)33-26(34)19-10-6-3-7-11-19;1-29-17-7-14-15(8-16(17)27)23-11-24-18(14)25-13-9-21-20(22-10-13)26-19(28)12-5-3-2-4-6-12;1-20-14-7-12-13(18-10-19-16(12)17)8-15(14)21-9-11-5-3-2-4-6-11;1-14(2,3)20-13(18)16-11(8-9-15)12(17)19-10-6-4-5-7-10;;/h5-7,10-11,16-20,23,25H,8-9,12-15H2,1-4H3,(H,40,44)(H,37,38,39)(H,35,36,41,42);2-4,7-8,13-17,20,22H,5-6,9-12,30H2,1H3,(H,33,34,35)(H,31,32,36,37);2-15,17H,16H2,1H3,(H,30,31,32)(H,28,29,33,34);2-11,27H,1H3,(H,23,24,25)(H,21,22,26,28);2-8,10H,9H2,1H3;10-11H,4-9H2,1-3H3,(H,16,18);2*1H4/t25-;22-;;;;11-;;/m00...0../s1
InChIKeyMCRRJLYDYYGCAI-BJDJFMHISA-N
XLogP26.01
TPSA681.42 Ų
H-Bond Donors12
H-Bond Acceptors47
Rotatable Bonds45
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002765.32
LogP ≤ 526.01
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-chloro-6-methoxy-7-phenylmethoxyquinazoline;cyclopentyl (2S)-2-amino-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[5-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide;methane;N-[5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-7-phenylmethoxyquinazoline;cyclopentyl (2S)-2-amino-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[5-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide;methane;N-[5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide?
The IUPAC name of 4-chloro-6-methoxy-7-phenylmethoxyquinazoline;cyclopentyl (2S)-2-amino-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[5-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide;methane;N-[5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide (CID 159528552) is 4-chloro-6-methoxy-7-phenylmethoxyquinazoline;cyclopentyl (2S)-2-amino-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[5-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide;methane;N-[5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide.
What is the SMILES notation for 4-chloro-6-methoxy-7-phenylmethoxyquinazoline;cyclopentyl (2S)-2-amino-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[5-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide;methane;N-[5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide?
The canonical SMILES for 4-chloro-6-methoxy-7-phenylmethoxyquinazoline;cyclopentyl (2S)-2-amino-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[5-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide;methane;N-[5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide is C.C.CC(C)(C)OC(=O)N[C@@H](CCBr)C(=O)OC1CCCC1.COc1cc2c(Cl)ncnc2cc1OCc1ccccc1.COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1O.COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OCC[C@H](N)C(=O)OC1CCCC1.COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC1CCCC1.COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OCc1ccccc1.
What is the InChIKey of 4-chloro-6-methoxy-7-phenylmethoxyquinazoline;cyclopentyl (2S)-2-amino-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[5-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide;methane;N-[5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide?
The InChIKey is MCRRJLYDYYGCAI-BJDJFMHISA-N. The full InChI is InChI=1S/C34H39N7O7.C29H31N7O5.C27H22N6O3.C20H16N6O3.C16H13ClN2O2.C14H24BrNO4.2CH4/c1-34(2,3)48-33(44)40-25(31(43)47-23-12-8-9-13-23)14-15-46-28-17-26-24(16-27(28)45-4)29(38-20-37-26)39-22-18-35-32(36-19-22)41-30(42)21-10-6-5-7-11-21;1-39-24-13-21-23(14-25(24)40-12-11-22(30)28(38)41-20-9-5-6-10-20)33-17-34-26(21)35-19-15-31-29(32-16-19)36-27(37)18-7-3-2-4-8-18;1-35-23-12-21-22(13-24(23)36-16-18-8-4-2-5-9-18)30-17-31-25(21)32-20-14-28-27(29-15-20)33-26(34)19-10-6-3-7-11-19;1-29-17-7-14-15(8-16(17)27)23-11-24-18(14)25-13-9-21-20(22-10-13)26-19(28)12-5-3-2-4-6-12;1-20-14-7-12-13(18-10-19-16(12)17)8-15(14)21-9-11-5-3-2-4-6-11;1-14(2,3)20-13(18)16-11(8-9-15)12(17)19-10-6-4-5-7-10;;/h5-7,10-11,16-20,23,25H,8-9,12-15H2,1-4H3,(H,40,44)(H,37,38,39)(H,35,36,41,42);2-4,7-8,13-17,20,22H,5-6,9-12,30H2,1H3,(H,33,34,35)(H,31,32,36,37);2-15,17H,16H2,1H3,(H,30,31,32)(H,28,29,33,34);2-11,27H,1H3,(H,23,24,25)(H,21,22,26,28);2-8,10H,9H2,1H3;10-11H,4-9H2,1-3H3,(H,16,18);2*1H4/t25-;22-;;;;11-;;/m00...0../s1.
What are the key properties of 4-chloro-6-methoxy-7-phenylmethoxyquinazoline;cyclopentyl (2S)-2-amino-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[5-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide;methane;N-[5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide?
4-chloro-6-methoxy-7-phenylmethoxyquinazoline;cyclopentyl (2S)-2-amino-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[5-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide;methane;N-[5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide has a molecular weight of 2765.32 g/mol, XLogP of 26.01, 45 rotatable bonds, 12 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-7-phenylmethoxyquinazoline;cyclopentyl (2S)-2-amino-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[5-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide;methane;N-[5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]pyrimidin-2-yl]benzamide is sourced from PubChem (CID 159528552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).