1-bromo-2-methoxyethane;N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;methane;bis(1-(2-methoxyethyl)-2,3-dihydroindol-5-amine);1-(2-methoxyethyl)-5-nitro-2,3-dihydroindole;N-[3-[5-methoxy-2-[(1-propyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;oxolane

C90H120BrClN16O15 — CID 158184371

About 1-bromo-2-methoxyethane;N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;methane;bis(1-(2-methoxyethyl)-2,3-dihydroindol-5-amine);1-(2-methoxyethyl)-5-nitro-2,3-dihydroindole;N-[3-[5-methoxy-2-[(1-propyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;oxolane

1-bromo-2-methoxyethane;N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;methane;bis(1-(2-methoxyethyl)-2,3-dihydroindol-5-amine);1-(2-methoxyethyl)-5-nitro-2,3-dihydroindole;N-[3-[5-methoxy-2-[(1-propyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;oxolane (PubChem CID 158184371) has the molecular formula C90H120BrClN16O15 and a molecular weight of 1781.40 g/mol. Its IUPAC name is 1-bromo-2-methoxyethane;N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;methane;bis(1-(2-methoxyethyl)-2,3-dihydroindol-5-amine);1-(2-methoxyethyl)-5-nitro-2,3-dihydroindole;N-[3-[5-methoxy-2-[(1-propyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;oxolane.

Molecular Properties

• Compound Name: 1-bromo-2-methoxyethane;N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;methane;bis(1-(2-methoxyethyl)-2,3-dihydroindol-5-amine);1-(2-methoxyethyl)-5-nitro-2,3-dihydroindole;N-[3-[5-methoxy-2-[(1-propyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;oxolane
• PubChem CID: 158184371
• Molecular Formula: C90H120BrClN16O15
• Molecular Weight: 1781.40 g/mol
• Exact Mass: 1778.80
• IUPAC Name: 1-bromo-2-methoxyethane;N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;methane;bis(1-(2-methoxyethyl)-2,3-dihydroindol-5-amine);1-(2-methoxyethyl)-5-nitro-2,3-dihydroindole;N-[3-[5-methoxy-2-[(1-propyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;oxolane
• SMILES: C.C.C.C1CCOC1.C=CC(=O)Nc1cccc(Oc2nc(Cl)ncc2OC)c1.C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc4c(c3)CCN4CCC)ncc2OC)c1.COCCBr.COCCN1CCc2cc(N)ccc21.COCCN1CCc2cc(N)ccc21.COCCN1CCc2cc([N+](=O)[O-])ccc21.O=[N+]([O-])c1ccc2c(c1)CCN2
• InChI: InChI=1S/C25H27N5O3.C14H12ClN3O3.C11H14N2O3.2C11H16N2O.C8H8N2O2.C4H8O.C3H7BrO.3CH4/c1-4-12-30-13-11-17-14-19(9-10-21(17)30)28-25-26-16-22(32-3)24(29-25)33-20-8-6-7-18(15-20)27-23(31)5-2;1-3-12(19)17-9-5-4-6-10(7-9)21-13-11(20-2)8-16-14(15)18-13;1-16-7-6-12-5-4-9-8-10(13(14)15)2-3-11(9)12;2*1-14-7-6-13-5-4-9-8-10(12)2-3-11(9)13;11-10(12)7-1-2-8-6(5-7)3-4-9-8;1-2-4-5-3-1;1-5-3-2-4;;;/h5-10,14-16H,2,4,11-13H2,1,3H3,(H,27,31)(H,26,28,29);3-8H,1H2,2H3,(H,17,19);2-3,8H,4-7H2,1H3;2*2-3,8H,4-7,12H2,1H3;1-2,5,9H,3-4H2;1-4H2;2-3H2,1H3;3*1H4
• InChIKey: FYYVIYAPJNOKRE-UHFFFAOYSA-N
• XLogP: 17.43
• TPSA: 368.17 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1781.40
LogP ≤ 5	17.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methoxyethane;N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;methane;bis(1-(2-methoxyethyl)-2,3-dihydroindol-5-amine);1-(2-methoxyethyl)-5-nitro-2,3-dihydroindole;N-[3-[5-methoxy-2-[(1-propyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;oxolane?

The IUPAC name of 1-bromo-2-methoxyethane;N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;methane;bis(1-(2-methoxyethyl)-2,3-dihydroindol-5-amine);1-(2-methoxyethyl)-5-nitro-2,3-dihydroindole;N-[3-[5-methoxy-2-[(1-propyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;oxolane (CID 158184371) is 1-bromo-2-methoxyethane;N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;methane;bis(1-(2-methoxyethyl)-2,3-dihydroindol-5-amine);1-(2-methoxyethyl)-5-nitro-2,3-dihydroindole;N-[3-[5-methoxy-2-[(1-propyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;oxolane.

What is the SMILES notation for 1-bromo-2-methoxyethane;N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;methane;bis(1-(2-methoxyethyl)-2,3-dihydroindol-5-amine);1-(2-methoxyethyl)-5-nitro-2,3-dihydroindole;N-[3-[5-methoxy-2-[(1-propyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;oxolane?

The canonical SMILES for 1-bromo-2-methoxyethane;N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;methane;bis(1-(2-methoxyethyl)-2,3-dihydroindol-5-amine);1-(2-methoxyethyl)-5-nitro-2,3-dihydroindole;N-[3-[5-methoxy-2-[(1-propyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;oxolane is C.C.C.C1CCOC1.C=CC(=O)Nc1cccc(Oc2nc(Cl)ncc2OC)c1.C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc4c(c3)CCN4CCC)ncc2OC)c1.COCCBr.COCCN1CCc2cc(N)ccc21.COCCN1CCc2cc(N)ccc21.COCCN1CCc2cc([N+](=O)[O-])ccc21.O=[N+]([O-])c1ccc2c(c1)CCN2.

What is the InChIKey of 1-bromo-2-methoxyethane;N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;methane;bis(1-(2-methoxyethyl)-2,3-dihydroindol-5-amine);1-(2-methoxyethyl)-5-nitro-2,3-dihydroindole;N-[3-[5-methoxy-2-[(1-propyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;oxolane?

The InChIKey is FYYVIYAPJNOKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3.C14H12ClN3O3.C11H14N2O3.2C11H16N2O.C8H8N2O2.C4H8O.C3H7BrO.3CH4/c1-4-12-30-13-11-17-14-19(9-10-21(17)30)28-25-26-16-22(32-3)24(29-25)33-20-8-6-7-18(15-20)27-23(31)5-2;1-3-12(19)17-9-5-4-6-10(7-9)21-13-11(20-2)8-16-14(15)18-13;1-16-7-6-12-5-4-9-8-10(13(14)15)2-3-11(9)12;2*1-14-7-6-13-5-4-9-8-10(12)2-3-11(9)13;11-10(12)7-1-2-8-6(5-7)3-4-9-8;1-2-4-5-3-1;1-5-3-2-4;;;/h5-10,14-16H,2,4,11-13H2,1,3H3,(H,27,31)(H,26,28,29);3-8H,1H2,2H3,(H,17,19);2-3,8H,4-7H2,1H3;2*2-3,8H,4-7,12H2,1H3;1-2,5,9H,3-4H2;1-4H2;2-3H2,1H3;3*1H4.

What are the key properties of 1-bromo-2-methoxyethane;N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;methane;bis(1-(2-methoxyethyl)-2,3-dihydroindol-5-amine);1-(2-methoxyethyl)-5-nitro-2,3-dihydroindole;N-[3-[5-methoxy-2-[(1-propyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;oxolane?

1-bromo-2-methoxyethane;N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;methane;bis(1-(2-methoxyethyl)-2,3-dihydroindol-5-amine);1-(2-methoxyethyl)-5-nitro-2,3-dihydroindole;N-[3-[5-methoxy-2-[(1-propyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;oxolane has a molecular weight of 1781.40 g/mol, XLogP of 17.43, 27 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-2-methoxyethane;N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;methane;bis(1-(2-methoxyethyl)-2,3-dihydroindol-5-amine);1-(2-methoxyethyl)-5-nitro-2,3-dihydroindole;N-[3-[5-methoxy-2-[(1-propyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;oxolane is sourced from PubChem (CID 158184371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).