dichloromethane;bis([7-[(4-fluorophenyl)methyl]-8-hydroxy-6-methylidene-9-oxopyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate);[7'-[(4-fluorophenyl)methyl]-9'-hydroxy-8'-oxospiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-5'-yl] N,N-dimethylsulfamate;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate

C95H96Cl2F4N12O20S4Si — CID 157143454

About dichloromethane;bis([7-[(4-fluorophenyl)methyl]-8-hydroxy-6-methylidene-9-oxopyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate);[7'-[(4-fluorophenyl)methyl]-9'-hydroxy-8'-oxospiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-5'-yl] N,N-dimethylsulfamate;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate

dichloromethane;bis([7-[(4-fluorophenyl)methyl]-8-hydroxy-6-methylidene-9-oxopyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate);[7'-[(4-fluorophenyl)methyl]-9'-hydroxy-8'-oxospiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-5'-yl] N,N-dimethylsulfamate;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate (PubChem CID 157143454) has the molecular formula C95H96Cl2F4N12O20S4Si and a molecular weight of 2029.13 g/mol. Its IUPAC name is dichloromethane;bis([7-[(4-fluorophenyl)methyl]-8-hydroxy-6-methylidene-9-oxopyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate);[7'-[(4-fluorophenyl)methyl]-9'-hydroxy-8'-oxospiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-5'-yl] N,N-dimethylsulfamate;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate.

Molecular Properties

• Compound Name: dichloromethane;bis([7-[(4-fluorophenyl)methyl]-8-hydroxy-6-methylidene-9-oxopyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate);[7'-[(4-fluorophenyl)methyl]-9'-hydroxy-8'-oxospiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-5'-yl] N,N-dimethylsulfamate;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate
• PubChem CID: 157143454
• Molecular Formula: C95H96Cl2F4N12O20S4Si
• Molecular Weight: 2029.13 g/mol
• Exact Mass: 2026.48
• IUPAC Name: dichloromethane;bis([7-[(4-fluorophenyl)methyl]-8-hydroxy-6-methylidene-9-oxopyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate);[7'-[(4-fluorophenyl)methyl]-9'-hydroxy-8'-oxospiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-5'-yl] N,N-dimethylsulfamate;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate
• SMILES: C=C1c2c(c(O[Si](C(C)C)(C(C)C)C(C)C)c3ncccc3c2OS(=O)(=O)N(C)C)C(=O)N1Cc1ccc(F)cc1.C=c1c2c(c(O)n1Cc1ccc(F)cc1)C(=O)c1ncccc1C=2OS(=O)(=O)N(C)C.C=c1c2c(c(O)n1Cc1ccc(F)cc1)C(=O)c1ncccc1C=2OS(=O)(=O)N(C)C.CN(C)S(=O)(=O)Oc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C21CC1.ClCCl
• InChI: InChI=1S/C30H38FN3O5SSi.C22H20FN3O5S.2C21H18FN3O5S.CH2Cl2/c1-18(2)41(19(3)4,20(5)6)39-29-26-25(21(7)34(30(26)35)17-22-12-14-23(31)15-13-22)28(38-40(36,37)33(8)9)24-11-10-16-32-27(24)29;1-25(2)32(29,30)31-20-15-4-3-11-24-18(15)19(27)16-17(20)22(9-10-22)26(21(16)28)12-13-5-7-14(23)8-6-13;2*1-12-16-17(21(27)25(12)11-13-6-8-14(22)9-7-13)19(26)18-15(5-4-10-23-18)20(16)30-31(28,29)24(2)3;2-1-3/h10-16,18-20H,7,17H2,1-6,8-9H3;3-8,11,27H,9-10,12H2,1-2H3;2*4-10,27H,1,11H2,2-3H3;1H2
• InChIKey: ADNKOGDGOPACIR-UHFFFAOYSA-N
• XLogP: 12.49
• TPSA: 392.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2029.13
LogP ≤ 5	12.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dichloromethane;bis([7-[(4-fluorophenyl)methyl]-8-hydroxy-6-methylidene-9-oxopyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate);[7'-[(4-fluorophenyl)methyl]-9'-hydroxy-8'-oxospiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-5'-yl] N,N-dimethylsulfamate;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate?

The IUPAC name of dichloromethane;bis([7-[(4-fluorophenyl)methyl]-8-hydroxy-6-methylidene-9-oxopyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate);[7'-[(4-fluorophenyl)methyl]-9'-hydroxy-8'-oxospiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-5'-yl] N,N-dimethylsulfamate;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate (CID 157143454) is dichloromethane;bis([7-[(4-fluorophenyl)methyl]-8-hydroxy-6-methylidene-9-oxopyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate);[7'-[(4-fluorophenyl)methyl]-9'-hydroxy-8'-oxospiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-5'-yl] N,N-dimethylsulfamate;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate.

What is the SMILES notation for dichloromethane;bis([7-[(4-fluorophenyl)methyl]-8-hydroxy-6-methylidene-9-oxopyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate);[7'-[(4-fluorophenyl)methyl]-9'-hydroxy-8'-oxospiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-5'-yl] N,N-dimethylsulfamate;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate?

The canonical SMILES for dichloromethane;bis([7-[(4-fluorophenyl)methyl]-8-hydroxy-6-methylidene-9-oxopyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate);[7'-[(4-fluorophenyl)methyl]-9'-hydroxy-8'-oxospiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-5'-yl] N,N-dimethylsulfamate;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate is C=C1c2c(c(O[Si](C(C)C)(C(C)C)C(C)C)c3ncccc3c2OS(=O)(=O)N(C)C)C(=O)N1Cc1ccc(F)cc1.C=c1c2c(c(O)n1Cc1ccc(F)cc1)C(=O)c1ncccc1C=2OS(=O)(=O)N(C)C.C=c1c2c(c(O)n1Cc1ccc(F)cc1)C(=O)c1ncccc1C=2OS(=O)(=O)N(C)C.CN(C)S(=O)(=O)Oc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C21CC1.ClCCl.

What is the InChIKey of dichloromethane;bis([7-[(4-fluorophenyl)methyl]-8-hydroxy-6-methylidene-9-oxopyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate);[7'-[(4-fluorophenyl)methyl]-9'-hydroxy-8'-oxospiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-5'-yl] N,N-dimethylsulfamate;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate?

The InChIKey is ADNKOGDGOPACIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38FN3O5SSi.C22H20FN3O5S.2C21H18FN3O5S.CH2Cl2/c1-18(2)41(19(3)4,20(5)6)39-29-26-25(21(7)34(30(26)35)17-22-12-14-23(31)15-13-22)28(38-40(36,37)33(8)9)24-11-10-16-32-27(24)29;1-25(2)32(29,30)31-20-15-4-3-11-24-18(15)19(27)16-17(20)22(9-10-22)26(21(16)28)12-13-5-7-14(23)8-6-13;2*1-12-16-17(21(27)25(12)11-13-6-8-14(22)9-7-13)19(26)18-15(5-4-10-23-18)20(16)30-31(28,29)24(2)3;2-1-3/h10-16,18-20H,7,17H2,1-6,8-9H3;3-8,11,27H,9-10,12H2,1-2H3;2*4-10,27H,1,11H2,2-3H3;1H2.

What are the key properties of dichloromethane;bis([7-[(4-fluorophenyl)methyl]-8-hydroxy-6-methylidene-9-oxopyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate);[7'-[(4-fluorophenyl)methyl]-9'-hydroxy-8'-oxospiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-5'-yl] N,N-dimethylsulfamate;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate?

dichloromethane;bis([7-[(4-fluorophenyl)methyl]-8-hydroxy-6-methylidene-9-oxopyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate);[7'-[(4-fluorophenyl)methyl]-9'-hydroxy-8'-oxospiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-5'-yl] N,N-dimethylsulfamate;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate has a molecular weight of 2029.13 g/mol, XLogP of 12.49, 25 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for dichloromethane;bis([7-[(4-fluorophenyl)methyl]-8-hydroxy-6-methylidene-9-oxopyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate);[7'-[(4-fluorophenyl)methyl]-9'-hydroxy-8'-oxospiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-5'-yl] N,N-dimethylsulfamate;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate is sourced from PubChem (CID 157143454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).