4'-bromo-9'-(1-pentylpiperidin-4-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one;N-[(4-chlorophenyl)methyl]formamide;1-fluorocyclopropane-1-carboxamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one

C52H69BrClFN6O5 — CID 171105074

About 4'-bromo-9'-(1-pentylpiperidin-4-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one;N-[(4-chlorophenyl)methyl]formamide;1-fluorocyclopropane-1-carboxamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one

4'-bromo-9'-(1-pentylpiperidin-4-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one;N-[(4-chlorophenyl)methyl]formamide;1-fluorocyclopropane-1-carboxamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 171105074) has the molecular formula C52H69BrClFN6O5 and a molecular weight of 992.52 g/mol. Its IUPAC name is 4'-bromo-9'-(1-pentylpiperidin-4-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one;N-[(4-chlorophenyl)methyl]formamide;1-fluorocyclopropane-1-carboxamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

• Compound Name: 4'-bromo-9'-(1-pentylpiperidin-4-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one;N-[(4-chlorophenyl)methyl]formamide;1-fluorocyclopropane-1-carboxamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
• PubChem CID: 171105074
• Molecular Formula: C52H69BrClFN6O5
• Molecular Weight: 992.52 g/mol
• Exact Mass: 990.42
• IUPAC Name: 4'-bromo-9'-(1-pentylpiperidin-4-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one;N-[(4-chlorophenyl)methyl]formamide;1-fluorocyclopropane-1-carboxamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
• SMILES: CC(C)(C)CC(=O)N1CCC(O)C1.CCCCCN1CCC(c2ccc3c(c2)C2(CCCCC2)c2nc(=O)c4c(Br)cccc4n2-3)CC1.NC(=O)C1(F)CC1.O=CNCc1ccc(Cl)cc1
• InChI: InChI=1S/C30H36BrN3O.C10H19NO2.C8H8ClNO.C4H6FNO/c1-2-3-7-17-33-18-13-21(14-19-33)22-11-12-25-23(20-22)30(15-5-4-6-16-30)29-32-28(35)27-24(31)9-8-10-26(27)34(25)29;1-10(2,3)6-9(13)11-5-4-8(12)7-11;9-8-3-1-7(2-4-8)5-10-6-11;5-4(1-2-4)3(6)7/h8-12,20-21H,2-7,13-19H2,1H3;8,12H,4-7H2,1-3H3;1-4,6H,5H2,(H,10,11);1-2H2,(H2,6,7)
• InChIKey: CCJIEWKUWLSHOO-UHFFFAOYSA-N
• XLogP: 9.66
• TPSA: 150.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	992.52
LogP ≤ 5	9.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4'-bromo-9'-(1-pentylpiperidin-4-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one;N-[(4-chlorophenyl)methyl]formamide;1-fluorocyclopropane-1-carboxamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one?

The IUPAC name of 4'-bromo-9'-(1-pentylpiperidin-4-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one;N-[(4-chlorophenyl)methyl]formamide;1-fluorocyclopropane-1-carboxamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one (CID 171105074) is 4'-bromo-9'-(1-pentylpiperidin-4-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one;N-[(4-chlorophenyl)methyl]formamide;1-fluorocyclopropane-1-carboxamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one.

What is the SMILES notation for 4'-bromo-9'-(1-pentylpiperidin-4-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one;N-[(4-chlorophenyl)methyl]formamide;1-fluorocyclopropane-1-carboxamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one?

The canonical SMILES for 4'-bromo-9'-(1-pentylpiperidin-4-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one;N-[(4-chlorophenyl)methyl]formamide;1-fluorocyclopropane-1-carboxamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCC(O)C1.CCCCCN1CCC(c2ccc3c(c2)C2(CCCCC2)c2nc(=O)c4c(Br)cccc4n2-3)CC1.NC(=O)C1(F)CC1.O=CNCc1ccc(Cl)cc1.

What is the InChIKey of 4'-bromo-9'-(1-pentylpiperidin-4-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one;N-[(4-chlorophenyl)methyl]formamide;1-fluorocyclopropane-1-carboxamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one?

The InChIKey is CCJIEWKUWLSHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36BrN3O.C10H19NO2.C8H8ClNO.C4H6FNO/c1-2-3-7-17-33-18-13-21(14-19-33)22-11-12-25-23(20-22)30(15-5-4-6-16-30)29-32-28(35)27-24(31)9-8-10-26(27)34(25)29;1-10(2,3)6-9(13)11-5-4-8(12)7-11;9-8-3-1-7(2-4-8)5-10-6-11;5-4(1-2-4)3(6)7/h8-12,20-21H,2-7,13-19H2,1H3;8,12H,4-7H2,1-3H3;1-4,6H,5H2,(H,10,11);1-2H2,(H2,6,7).

What are the key properties of 4'-bromo-9'-(1-pentylpiperidin-4-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one;N-[(4-chlorophenyl)methyl]formamide;1-fluorocyclopropane-1-carboxamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one?

4'-bromo-9'-(1-pentylpiperidin-4-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one;N-[(4-chlorophenyl)methyl]formamide;1-fluorocyclopropane-1-carboxamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 992.52 g/mol, XLogP of 9.66, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4'-bromo-9'-(1-pentylpiperidin-4-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one;N-[(4-chlorophenyl)methyl]formamide;1-fluorocyclopropane-1-carboxamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 171105074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).