(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-methoxyphenyl)methanone;4-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;[1'-(1,1-difluoroethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;methyl 2-[4-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-2-methoxyphenyl]-2-methylpropanoate;molecular hydrogen

C104H106Cl2F2N10O15S — CID 158014297

About (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-methoxyphenyl)methanone;4-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;[1'-(1,1-difluoroethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;methyl 2-[4-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-2-methoxyphenyl]-2-methylpropanoate;molecular hydrogen

(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-methoxyphenyl)methanone;4-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;[1'-(1,1-difluoroethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;methyl 2-[4-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-2-methoxyphenyl]-2-methylpropanoate;molecular hydrogen (PubChem CID 158014297) has the molecular formula C104H106Cl2F2N10O15S and a molecular weight of 1877.02 g/mol. Its IUPAC name is (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-methoxyphenyl)methanone;4-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;[1'-(1,1-difluoroethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;methyl 2-[4-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-2-methoxyphenyl]-2-methylpropanoate;molecular hydrogen.

Molecular Properties

• Compound Name: (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-methoxyphenyl)methanone;4-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;[1'-(1,1-difluoroethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;methyl 2-[4-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-2-methoxyphenyl]-2-methylpropanoate;molecular hydrogen
• PubChem CID: 158014297
• Molecular Formula: C104H106Cl2F2N10O15S
• Molecular Weight: 1877.02 g/mol
• Exact Mass: 1874.69
• IUPAC Name: (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-methoxyphenyl)methanone;4-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;[1'-(1,1-difluoroethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;methyl 2-[4-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-2-methoxyphenyl]-2-methylpropanoate;molecular hydrogen
• SMILES: CC(C)(O)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C(C)(F)F)ccc23)cc1.CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C#N)ccc23)cc1.COC(=O)C(C)(C)c1ccc(C(=O)N2CCC3(CC2)Oc2cc(Cl)ccc2-n2cccc23)cc1OC.COc1cccc(C(=O)N2CCC3(CC2)Oc2cc(Cl)ccc2-n2cccc23)c1.[H][H]
• InChI: InChI=1S/C28H29ClN2O5.C27H28F2N2O3.C26H26N4O4S.C23H21ClN2O3.H2/c1-27(2,26(33)35-4)20-9-7-18(16-22(20)34-3)25(32)30-14-11-28(12-15-30)24-6-5-13-31(24)21-10-8-19(29)17-23(21)36-28;1-25(2,33)19-10-8-18(9-11-19)24(32)30-16-14-27(15-17-30)23-13-12-22(26(3,28)29)31(23)20-6-4-5-7-21(20)34-27;1-18(2)28-35(32,33)21-10-7-19(8-11-21)25(31)29-15-13-26(14-16-29)24-12-9-20(17-27)30(24)22-5-3-4-6-23(22)34-26;1-28-18-5-2-4-16(14-18)22(27)25-12-9-23(10-13-25)21-6-3-11-26(21)19-8-7-17(24)15-20(19)29-23;/h5-10,13,16-17H,11-12,14-15H2,1-4H3;4-13,33H,14-17H2,1-3H3;3-12,18,28H,13-16H2,1-2H3;2-8,11,14-15H,9-10,12-13H2,1H3;1H
• InChIKey: FFGQIGJMNSAFQQ-UHFFFAOYSA-N
• XLogP: 18.92
• TPSA: 272.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1877.02
LogP ≤ 5	18.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-methoxyphenyl)methanone;4-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;[1'-(1,1-difluoroethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;methyl 2-[4-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-2-methoxyphenyl]-2-methylpropanoate;molecular hydrogen?

The IUPAC name of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-methoxyphenyl)methanone;4-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;[1'-(1,1-difluoroethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;methyl 2-[4-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-2-methoxyphenyl]-2-methylpropanoate;molecular hydrogen (CID 158014297) is (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-methoxyphenyl)methanone;4-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;[1'-(1,1-difluoroethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;methyl 2-[4-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-2-methoxyphenyl]-2-methylpropanoate;molecular hydrogen.

What is the SMILES notation for (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-methoxyphenyl)methanone;4-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;[1'-(1,1-difluoroethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;methyl 2-[4-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-2-methoxyphenyl]-2-methylpropanoate;molecular hydrogen?

The canonical SMILES for (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-methoxyphenyl)methanone;4-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;[1'-(1,1-difluoroethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;methyl 2-[4-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-2-methoxyphenyl]-2-methylpropanoate;molecular hydrogen is CC(C)(O)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C(C)(F)F)ccc23)cc1.CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C#N)ccc23)cc1.COC(=O)C(C)(C)c1ccc(C(=O)N2CCC3(CC2)Oc2cc(Cl)ccc2-n2cccc23)cc1OC.COc1cccc(C(=O)N2CCC3(CC2)Oc2cc(Cl)ccc2-n2cccc23)c1.[H][H].

What is the InChIKey of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-methoxyphenyl)methanone;4-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;[1'-(1,1-difluoroethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;methyl 2-[4-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-2-methoxyphenyl]-2-methylpropanoate;molecular hydrogen?

The InChIKey is FFGQIGJMNSAFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN2O5.C27H28F2N2O3.C26H26N4O4S.C23H21ClN2O3.H2/c1-27(2,26(33)35-4)20-9-7-18(16-22(20)34-3)25(32)30-14-11-28(12-15-30)24-6-5-13-31(24)21-10-8-19(29)17-23(21)36-28;1-25(2,33)19-10-8-18(9-11-19)24(32)30-16-14-27(15-17-30)23-13-12-22(26(3,28)29)31(23)20-6-4-5-7-21(20)34-27;1-18(2)28-35(32,33)21-10-7-19(8-11-21)25(31)29-15-13-26(14-16-29)24-12-9-20(17-27)30(24)22-5-3-4-6-23(22)34-26;1-28-18-5-2-4-16(14-18)22(27)25-12-9-23(10-13-25)21-6-3-11-26(21)19-8-7-17(24)15-20(19)29-23;/h5-10,13,16-17H,11-12,14-15H2,1-4H3;4-13,33H,14-17H2,1-3H3;3-12,18,28H,13-16H2,1-2H3;2-8,11,14-15H,9-10,12-13H2,1H3;1H.

What are the key properties of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-methoxyphenyl)methanone;4-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;[1'-(1,1-difluoroethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;methyl 2-[4-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-2-methoxyphenyl]-2-methylpropanoate;molecular hydrogen?

(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-methoxyphenyl)methanone;4-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;[1'-(1,1-difluoroethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;methyl 2-[4-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-2-methoxyphenyl]-2-methylpropanoate;molecular hydrogen has a molecular weight of 1877.02 g/mol, XLogP of 18.92, 13 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-methoxyphenyl)methanone;4-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;[1'-(1,1-difluoroethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;methyl 2-[4-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-2-methoxyphenyl]-2-methylpropanoate;molecular hydrogen is sourced from PubChem (CID 158014297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).