1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]propan-1-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea;2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;N-[3-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrrol-5-yl]-4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzamide

C101H110Cl4N18O12 — CID 157183617

About 1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]propan-1-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea;2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;N-[3-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrrol-5-yl]-4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzamide

1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]propan-1-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea;2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;N-[3-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrrol-5-yl]-4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzamide (PubChem CID 157183617) has the molecular formula C101H110Cl4N18O12 and a molecular weight of 1909.92 g/mol. Its IUPAC name is 1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]propan-1-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea;2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;N-[3-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrrol-5-yl]-4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzamide.

Molecular Properties

• Compound Name: 1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]propan-1-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea;2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;N-[3-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrrol-5-yl]-4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzamide
• PubChem CID: 157183617
• Molecular Formula: C101H110Cl4N18O12
• Molecular Weight: 1909.92 g/mol
• Exact Mass: 1906.73
• IUPAC Name: 1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]propan-1-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea;2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;N-[3-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrrol-5-yl]-4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzamide
• SMILES: CCC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12.CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1.COc1cc(CCC2=CC(NC(=O)c3ccc(N4C[C@@H](C)N[C@@H](C)C4)cc3)=NC2)cc(OC)c1.C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl
• InChI: InChI=1S/C27H34N4O3.C27H26N2O4.C26H31Cl2N7O3.C21H19Cl2N5O2/c1-18-16-31(17-19(2)29-18)23-9-7-22(8-10-23)27(32)30-26-13-21(15-28-26)6-5-20-11-24(33-3)14-25(12-20)34-4;1-3-23(30)20-6-4-5-17-13-18(7-8-19(17)20)33-24-9-12-29-22-15-26(25(31-2)14-21(22)24)32-16-27(28)10-11-27;1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28;1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h7-14,18-19,29H,5-6,15-17H2,1-4H3,(H,28,30,32);4-9,12-15H,3,10-11,16,28H2,1-2H3;6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31);2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b;;;4-2+/t18-,19+;;;13-/m...1/s1
• InChIKey: AOVUNPUHXMVAKE-AIOXSRAKSA-N
• XLogP: 19.36
• TPSA: 342.80 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 30
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1909.92
LogP ≤ 5	19.36
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]propan-1-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea;2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;N-[3-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrrol-5-yl]-4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzamide?

The IUPAC name of 1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]propan-1-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea;2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;N-[3-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrrol-5-yl]-4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzamide (CID 157183617) is 1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]propan-1-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea;2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;N-[3-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrrol-5-yl]-4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzamide.

What is the SMILES notation for 1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]propan-1-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea;2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;N-[3-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrrol-5-yl]-4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzamide?

The canonical SMILES for 1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]propan-1-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea;2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;N-[3-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrrol-5-yl]-4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzamide is CCC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12.CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1.COc1cc(CCC2=CC(NC(=O)c3ccc(N4C[C@@H](C)N[C@@H](C)C4)cc3)=NC2)cc(OC)c1.C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl.

What is the InChIKey of 1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]propan-1-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea;2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;N-[3-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrrol-5-yl]-4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzamide?

The InChIKey is AOVUNPUHXMVAKE-AIOXSRAKSA-N. The full InChI is InChI=1S/C27H34N4O3.C27H26N2O4.C26H31Cl2N7O3.C21H19Cl2N5O2/c1-18-16-31(17-19(2)29-18)23-9-7-22(8-10-23)27(32)30-26-13-21(15-28-26)6-5-20-11-24(33-3)14-25(12-20)34-4;1-3-23(30)20-6-4-5-17-13-18(7-8-19(17)20)33-24-9-12-29-22-15-26(25(31-2)14-21(22)24)32-16-27(28)10-11-27;1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28;1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h7-14,18-19,29H,5-6,15-17H2,1-4H3,(H,28,30,32);4-9,12-15H,3,10-11,16,28H2,1-2H3;6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31);2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b;;;4-2+/t18-,19+;;;13-/m...1/s1.

What are the key properties of 1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]propan-1-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea;2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;N-[3-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrrol-5-yl]-4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzamide?

1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]propan-1-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea;2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;N-[3-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrrol-5-yl]-4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzamide has a molecular weight of 1909.92 g/mol, XLogP of 19.36, 30 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]propan-1-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea;2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;N-[3-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrrol-5-yl]-4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzamide is sourced from PubChem (CID 157183617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).