4-amino-2-fluorophenol;4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;4-chloro-6-methoxy-7-phenylmethoxyquinazoline;4-(3-chloropropyl)morpholine;1,2-dimethyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid;3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyaniline;3-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyphenyl]acetyl]-1,2-dimethyl-6-(trifluoromethoxy)quinolin-4-one;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyaniline

C137H132Cl2F11N19O25 — CID 159459893

IUPAC4-amino-2-fluorophenol;4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;4-chloro-6-methoxy-7-phenylmethoxyquinazoline;4-(3-chloropropyl)morpholine;1,2-dimethyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid;3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyaniline;3-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyphenyl]acetyl]-1,2-dimethyl-6-(trifluoromethoxy)quinolin-4-one;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyaniline
SMILESCOc1cc2c(Cl)ncnc2cc1OCc1ccccc1.COc1cc2c(Oc3ccc(CC(=O)c4c(C)n(C)c5ccc(OC(F)(F)F)cc5c4=O)cc3F)ncnc2cc1OCCCN1CCOCC1.COc1cc2c(Oc3ccc(N)cc3F)ncnc2cc1O.COc1cc2c(Oc3ccc(N)cc3F)ncnc2cc1OCCCN1CCOCC1.COc1cc2c(Oc3ccc(N)cc3F)ncnc2cc1OCc1ccccc1.Cc1c(C(=O)O)c(=O)c2cc(OC(F)(F)F)ccc2n1C.ClCCCN1CCOCC1.Nc1ccc(O)c(F)c1
InChIInChI=1S/C36H34F4N4O7.C22H25FN4O4.C22H18FN3O3.C16H13ClN2O2.C15H12FN3O3.C13H10F3NO4.C7H14ClNO.C6H6FNO/c1-21-33(34(46)25-17-23(51-36(38,39)40)6-7-28(25)43(21)2)29(45)16-22-5-8-30(26(37)15-22)50-35-24-18-31(47-3)32(19-27(24)41-20-42-35)49-12-4-9-44-10-13-48-14-11-44;1-28-20-12-16-18(13-21(20)30-8-2-5-27-6-9-29-10-7-27)25-14-26-22(16)31-19-4-3-15(24)11-17(19)23;1-27-20-10-16-18(11-21(20)28-12-14-5-3-2-4-6-14)25-13-26-22(16)29-19-8-7-15(24)9-17(19)23;1-20-14-7-12-13(18-10-19-16(12)17)8-15(14)21-9-11-5-3-2-4-6-11;1-21-14-5-9-11(6-12(14)20)18-7-19-15(9)22-13-3-2-8(17)4-10(13)16;1-6-10(12(19)20)11(18)8-5-7(21-13(14,15)16)3-4-9(8)17(6)2;8-2-1-3-9-4-6-10-7-5-9;7-5-3-4(8)1-2-6(5)9/h5-8,15,17-20H,4,9-14,16H2,1-3H3;3-4,11-14H,2,5-10,24H2,1H3;2-11,13H,12,24H2,1H3;2-8,10H,9H2,1H3;2-7,20H,17H2,1H3;3-5H,1-2H3,(H,19,20);1-7H2;1-3,9H,8H2
InChIKeyLULOIUCRHREVMN-UHFFFAOYSA-N
MW2724.55 g/mol
LogP25.37
Rot. Bonds38

About 4-amino-2-fluorophenol;4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;4-chloro-6-methoxy-7-phenylmethoxyquinazoline;4-(3-chloropropyl)morpholine;1,2-dimethyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid;3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyaniline;3-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyphenyl]acetyl]-1,2-dimethyl-6-(trifluoromethoxy)quinolin-4-one;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyaniline

4-amino-2-fluorophenol;4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;4-chloro-6-methoxy-7-phenylmethoxyquinazoline;4-(3-chloropropyl)morpholine;1,2-dimethyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid;3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyaniline;3-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyphenyl]acetyl]-1,2-dimethyl-6-(trifluoromethoxy)quinolin-4-one;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyaniline (PubChem CID 159459893) has the molecular formula C137H132Cl2F11N19O25 and a molecular weight of 2724.55 g/mol. Its IUPAC name is 4-amino-2-fluorophenol;4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;4-chloro-6-methoxy-7-phenylmethoxyquinazoline;4-(3-chloropropyl)morpholine;1,2-dimethyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid;3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyaniline;3-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyphenyl]acetyl]-1,2-dimethyl-6-(trifluoromethoxy)quinolin-4-one;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyaniline.

Molecular Properties

Compound Name4-amino-2-fluorophenol;4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;4-chloro-6-methoxy-7-phenylmethoxyquinazoline;4-(3-chloropropyl)morpholine;1,2-dimethyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid;3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyaniline;3-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyphenyl]acetyl]-1,2-dimethyl-6-(trifluoromethoxy)quinolin-4-one;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyaniline
PubChem CID159459893
Molecular FormulaC137H132Cl2F11N19O25
Molecular Weight2724.55 g/mol
Exact Mass2721.88
IUPAC Name4-amino-2-fluorophenol;4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;4-chloro-6-methoxy-7-phenylmethoxyquinazoline;4-(3-chloropropyl)morpholine;1,2-dimethyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid;3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyaniline;3-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyphenyl]acetyl]-1,2-dimethyl-6-(trifluoromethoxy)quinolin-4-one;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyaniline
SMILESCOc1cc2c(Cl)ncnc2cc1OCc1ccccc1.COc1cc2c(Oc3ccc(CC(=O)c4c(C)n(C)c5ccc(OC(F)(F)F)cc5c4=O)cc3F)ncnc2cc1OCCCN1CCOCC1.COc1cc2c(Oc3ccc(N)cc3F)ncnc2cc1O.COc1cc2c(Oc3ccc(N)cc3F)ncnc2cc1OCCCN1CCOCC1.COc1cc2c(Oc3ccc(N)cc3F)ncnc2cc1OCc1ccccc1.Cc1c(C(=O)O)c(=O)c2cc(OC(F)(F)F)ccc2n1C.ClCCCN1CCOCC1.Nc1ccc(O)c(F)c1
InChIInChI=1S/C36H34F4N4O7.C22H25FN4O4.C22H18FN3O3.C16H13ClN2O2.C15H12FN3O3.C13H10F3NO4.C7H14ClNO.C6H6FNO/c1-21-33(34(46)25-17-23(51-36(38,39)40)6-7-28(25)43(21)2)29(45)16-22-5-8-30(26(37)15-22)50-35-24-18-31(47-3)32(19-27(24)41-20-42-35)49-12-4-9-44-10-13-48-14-11-44;1-28-20-12-16-18(13-21(20)30-8-2-5-27-6-9-29-10-7-27)25-14-26-22(16)31-19-4-3-15(24)11-17(19)23;1-27-20-10-16-18(11-21(20)28-12-14-5-3-2-4-6-14)25-13-26-22(16)29-19-8-7-15(24)9-17(19)23;1-20-14-7-12-13(18-10-19-16(12)17)8-15(14)21-9-11-5-3-2-4-6-11;1-21-14-5-9-11(6-12(14)20)18-7-19-15(9)22-13-3-2-8(17)4-10(13)16;1-6-10(12(19)20)11(18)8-5-7(21-13(14,15)16)3-4-9(8)17(6)2;8-2-1-3-9-4-6-10-7-5-9;7-5-3-4(8)1-2-6(5)9/h5-8,15,17-20H,4,9-14,16H2,1-3H3;3-4,11-14H,2,5-10,24H2,1H3;2-11,13H,12,24H2,1H3;2-8,10H,9H2,1H3;2-7,20H,17H2,1H3;3-5H,1-2H3,(H,19,20);1-7H2;1-3,9H,8H2
InChIKeyLULOIUCRHREVMN-UHFFFAOYSA-N
XLogP25.37
TPSA547.67 Ų
H-Bond Donors7
H-Bond Acceptors43
Rotatable Bonds38
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002724.55
LogP ≤ 525.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-amino-2-fluorophenol;4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;4-chloro-6-methoxy-7-phenylmethoxyquinazoline;4-(3-chloropropyl)morpholine;1,2-dimethyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid;3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyaniline;3-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyphenyl]acetyl]-1,2-dimethyl-6-(trifluoromethoxy)quinolin-4-one;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluorophenol;4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;4-chloro-6-methoxy-7-phenylmethoxyquinazoline;4-(3-chloropropyl)morpholine;1,2-dimethyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid;3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyaniline;3-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyphenyl]acetyl]-1,2-dimethyl-6-(trifluoromethoxy)quinolin-4-one;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyaniline?
The IUPAC name of 4-amino-2-fluorophenol;4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;4-chloro-6-methoxy-7-phenylmethoxyquinazoline;4-(3-chloropropyl)morpholine;1,2-dimethyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid;3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyaniline;3-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyphenyl]acetyl]-1,2-dimethyl-6-(trifluoromethoxy)quinolin-4-one;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyaniline (CID 159459893) is 4-amino-2-fluorophenol;4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;4-chloro-6-methoxy-7-phenylmethoxyquinazoline;4-(3-chloropropyl)morpholine;1,2-dimethyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid;3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyaniline;3-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyphenyl]acetyl]-1,2-dimethyl-6-(trifluoromethoxy)quinolin-4-one;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyaniline.
What is the SMILES notation for 4-amino-2-fluorophenol;4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;4-chloro-6-methoxy-7-phenylmethoxyquinazoline;4-(3-chloropropyl)morpholine;1,2-dimethyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid;3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyaniline;3-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyphenyl]acetyl]-1,2-dimethyl-6-(trifluoromethoxy)quinolin-4-one;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyaniline?
The canonical SMILES for 4-amino-2-fluorophenol;4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;4-chloro-6-methoxy-7-phenylmethoxyquinazoline;4-(3-chloropropyl)morpholine;1,2-dimethyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid;3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyaniline;3-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyphenyl]acetyl]-1,2-dimethyl-6-(trifluoromethoxy)quinolin-4-one;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyaniline is COc1cc2c(Cl)ncnc2cc1OCc1ccccc1.COc1cc2c(Oc3ccc(CC(=O)c4c(C)n(C)c5ccc(OC(F)(F)F)cc5c4=O)cc3F)ncnc2cc1OCCCN1CCOCC1.COc1cc2c(Oc3ccc(N)cc3F)ncnc2cc1O.COc1cc2c(Oc3ccc(N)cc3F)ncnc2cc1OCCCN1CCOCC1.COc1cc2c(Oc3ccc(N)cc3F)ncnc2cc1OCc1ccccc1.Cc1c(C(=O)O)c(=O)c2cc(OC(F)(F)F)ccc2n1C.ClCCCN1CCOCC1.Nc1ccc(O)c(F)c1.
What is the InChIKey of 4-amino-2-fluorophenol;4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;4-chloro-6-methoxy-7-phenylmethoxyquinazoline;4-(3-chloropropyl)morpholine;1,2-dimethyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid;3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyaniline;3-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyphenyl]acetyl]-1,2-dimethyl-6-(trifluoromethoxy)quinolin-4-one;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyaniline?
The InChIKey is LULOIUCRHREVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34F4N4O7.C22H25FN4O4.C22H18FN3O3.C16H13ClN2O2.C15H12FN3O3.C13H10F3NO4.C7H14ClNO.C6H6FNO/c1-21-33(34(46)25-17-23(51-36(38,39)40)6-7-28(25)43(21)2)29(45)16-22-5-8-30(26(37)15-22)50-35-24-18-31(47-3)32(19-27(24)41-20-42-35)49-12-4-9-44-10-13-48-14-11-44;1-28-20-12-16-18(13-21(20)30-8-2-5-27-6-9-29-10-7-27)25-14-26-22(16)31-19-4-3-15(24)11-17(19)23;1-27-20-10-16-18(11-21(20)28-12-14-5-3-2-4-6-14)25-13-26-22(16)29-19-8-7-15(24)9-17(19)23;1-20-14-7-12-13(18-10-19-16(12)17)8-15(14)21-9-11-5-3-2-4-6-11;1-21-14-5-9-11(6-12(14)20)18-7-19-15(9)22-13-3-2-8(17)4-10(13)16;1-6-10(12(19)20)11(18)8-5-7(21-13(14,15)16)3-4-9(8)17(6)2;8-2-1-3-9-4-6-10-7-5-9;7-5-3-4(8)1-2-6(5)9/h5-8,15,17-20H,4,9-14,16H2,1-3H3;3-4,11-14H,2,5-10,24H2,1H3;2-11,13H,12,24H2,1H3;2-8,10H,9H2,1H3;2-7,20H,17H2,1H3;3-5H,1-2H3,(H,19,20);1-7H2;1-3,9H,8H2.
What are the key properties of 4-amino-2-fluorophenol;4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;4-chloro-6-methoxy-7-phenylmethoxyquinazoline;4-(3-chloropropyl)morpholine;1,2-dimethyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid;3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyaniline;3-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyphenyl]acetyl]-1,2-dimethyl-6-(trifluoromethoxy)quinolin-4-one;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyaniline?
4-amino-2-fluorophenol;4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;4-chloro-6-methoxy-7-phenylmethoxyquinazoline;4-(3-chloropropyl)morpholine;1,2-dimethyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid;3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyaniline;3-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyphenyl]acetyl]-1,2-dimethyl-6-(trifluoromethoxy)quinolin-4-one;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyaniline has a molecular weight of 2724.55 g/mol, XLogP of 25.37, 38 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluorophenol;4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;4-chloro-6-methoxy-7-phenylmethoxyquinazoline;4-(3-chloropropyl)morpholine;1,2-dimethyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid;3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyaniline;3-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyphenyl]acetyl]-1,2-dimethyl-6-(trifluoromethoxy)quinolin-4-one;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyaniline is sourced from PubChem (CID 159459893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).