N-(4-bromo-2-fluorophenyl)-7-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-6-methoxyquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

C74H74Br2F2N14O8 — CID 160506409

About N-(4-bromo-2-fluorophenyl)-7-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-6-methoxyquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

N-(4-bromo-2-fluorophenyl)-7-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-6-methoxyquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (PubChem CID 160506409) has the molecular formula C74H74Br2F2N14O8 and a molecular weight of 1485.30 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-7-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-6-methoxyquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

• Compound Name: N-(4-bromo-2-fluorophenyl)-7-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-6-methoxyquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
• PubChem CID: 160506409
• Molecular Formula: C74H74Br2F2N14O8
• Molecular Weight: 1485.30 g/mol
• Exact Mass: 1482.41
• IUPAC Name: N-(4-bromo-2-fluorophenyl)-7-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-6-methoxyquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
• SMILES: COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1.COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCN1C=CNN1.Cc1[nH]c(/C=C2\C(=O)Nc3ccccc32)c(C)c1CCC(=O)O.Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1
• InChI: InChI=1S/C22H24BrFN4O2.C19H18BrFN6O2.C18H18N2O3.C15H14N2O/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24;1-28-17-9-13-16(10-18(17)29-7-6-27-5-4-24-26-27)22-11-23-19(13)25-15-3-2-12(20)8-14(15)21;1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23;1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27);2-5,8-11,24,26H,6-7H2,1H3,(H,22,23,25);3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22);3-8,16H,1-2H3,(H,17,18)/b;;14-9-;12-8-
• InChIKey: QSLUGJIYNBPCNY-CQFKQIBFSA-N
• XLogP: 14.73
• TPSA: 270.16 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1485.30
LogP ≤ 5	14.73
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-7-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-6-methoxyquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?

The IUPAC name of N-(4-bromo-2-fluorophenyl)-7-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-6-methoxyquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (CID 160506409) is N-(4-bromo-2-fluorophenyl)-7-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-6-methoxyquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one.

What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-7-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-6-methoxyquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?

The canonical SMILES for N-(4-bromo-2-fluorophenyl)-7-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-6-methoxyquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one is COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1.COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCN1C=CNN1.Cc1[nH]c(/C=C2\C(=O)Nc3ccccc32)c(C)c1CCC(=O)O.Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1.

What is the InChIKey of N-(4-bromo-2-fluorophenyl)-7-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-6-methoxyquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?

The InChIKey is QSLUGJIYNBPCNY-CQFKQIBFSA-N. The full InChI is InChI=1S/C22H24BrFN4O2.C19H18BrFN6O2.C18H18N2O3.C15H14N2O/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24;1-28-17-9-13-16(10-18(17)29-7-6-27-5-4-24-26-27)22-11-23-19(13)25-15-3-2-12(20)8-14(15)21;1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23;1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27);2-5,8-11,24,26H,6-7H2,1H3,(H,22,23,25);3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22);3-8,16H,1-2H3,(H,17,18)/b;;14-9-;12-8-.

What are the key properties of N-(4-bromo-2-fluorophenyl)-7-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-6-methoxyquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?

N-(4-bromo-2-fluorophenyl)-7-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-6-methoxyquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 1485.30 g/mol, XLogP of 14.73, 18 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromo-2-fluorophenyl)-7-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-6-methoxyquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 160506409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).