potassium;3-[[5-(3-aminopropyl)furan-2-yl]methyl]-7-bromo-6-chloroquinazolin-4-one;benzyl (3aS,7aS)-2-hydroxy-2-[(4-oxoquinazolin-3-yl)methyl]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;3-[(5-butylfuran-2-yl)methyl]quinazolin-4-one;hydride;iodo(trimethyl)silane;methyl (3aS,7aS)-2-[(7-bromo-6-chloro-4-oxoquinazolin-3-yl)methyl]-2-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;hydroiodide

C78H88Br2Cl2I2KN11O14Si — CID 167592572

IUPACpotassium;3-[[5-(3-aminopropyl)furan-2-yl]methyl]-7-bromo-6-chloroquinazolin-4-one;benzyl (3aS,7aS)-2-hydroxy-2-[(4-oxoquinazolin-3-yl)methyl]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;3-[(5-butylfuran-2-yl)methyl]quinazolin-4-one;hydride;iodo(trimethyl)silane;methyl (3aS,7aS)-2-[(7-bromo-6-chloro-4-oxoquinazolin-3-yl)methyl]-2-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;hydroiodide
SMILESCCCCc1ccc(Cn2cnc3ccccc3c2=O)o1.COC(=O)N1CCC[C@@H]2OC(O)(Cn3cnc4cc(Br)c(Cl)cc4c3=O)C[C@@H]21.C[Si](C)(C)I.I.NCCCc1ccc(Cn2cnc3cc(Br)c(Cl)cc3c2=O)o1.O=C(OCc1ccccc1)N1CCC[C@@H]2OC(O)(Cn3cnc4ccccc4c3=O)C[C@@H]21.[H-].[K+]
InChIInChI=1S/C24H25N3O5.C18H19BrClN3O5.C17H18N2O2.C16H15BrClN3O2.C3H9ISi.HI.K.H/c28-22-18-9-4-5-10-19(18)25-16-26(22)15-24(30)13-20-21(32-24)11-6-12-27(20)23(29)31-14-17-7-2-1-3-8-17;1-27-17(25)23-4-2-3-15-14(23)7-18(26,28-15)8-22-9-21-13-6-11(19)12(20)5-10(13)16(22)24;1-2-3-6-13-9-10-14(21-13)11-19-12-18-16-8-5-4-7-15(16)17(19)20;17-13-7-15-12(6-14(13)18)16(22)21(9-20-15)8-11-4-3-10(23-11)2-1-5-19;1-5(2,3)4;;;/h1-5,7-10,16,20-21,30H,6,11-15H2;5-6,9,14-15,26H,2-4,7-8H2,1H3;4-5,7-10,12H,2-3,6,11H2,1H3;3-4,6-7,9H,1-2,5,8,19H2;1-3H3;1H;;/q;;;;;;+1;-1/t20-,21-,24?;14-,15-,18?;;;;;;/m00....../s1
InChIKeyLWJVQQVBPRVLJC-WGMZEIQHSA-N
MW1955.33 g/mol
LogP11.91
Rot. Bonds16

About potassium;3-[[5-(3-aminopropyl)furan-2-yl]methyl]-7-bromo-6-chloroquinazolin-4-one;benzyl (3aS,7aS)-2-hydroxy-2-[(4-oxoquinazolin-3-yl)methyl]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;3-[(5-butylfuran-2-yl)methyl]quinazolin-4-one;hydride;iodo(trimethyl)silane;methyl (3aS,7aS)-2-[(7-bromo-6-chloro-4-oxoquinazolin-3-yl)methyl]-2-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;hydroiodide

potassium;3-[[5-(3-aminopropyl)furan-2-yl]methyl]-7-bromo-6-chloroquinazolin-4-one;benzyl (3aS,7aS)-2-hydroxy-2-[(4-oxoquinazolin-3-yl)methyl]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;3-[(5-butylfuran-2-yl)methyl]quinazolin-4-one;hydride;iodo(trimethyl)silane;methyl (3aS,7aS)-2-[(7-bromo-6-chloro-4-oxoquinazolin-3-yl)methyl]-2-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;hydroiodide (PubChem CID 167592572) has the molecular formula C78H88Br2Cl2I2KN11O14Si and a molecular weight of 1955.33 g/mol. Its IUPAC name is potassium;3-[[5-(3-aminopropyl)furan-2-yl]methyl]-7-bromo-6-chloroquinazolin-4-one;benzyl (3aS,7aS)-2-hydroxy-2-[(4-oxoquinazolin-3-yl)methyl]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;3-[(5-butylfuran-2-yl)methyl]quinazolin-4-one;hydride;iodo(trimethyl)silane;methyl (3aS,7aS)-2-[(7-bromo-6-chloro-4-oxoquinazolin-3-yl)methyl]-2-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;hydroiodide.

Molecular Properties

Compound Namepotassium;3-[[5-(3-aminopropyl)furan-2-yl]methyl]-7-bromo-6-chloroquinazolin-4-one;benzyl (3aS,7aS)-2-hydroxy-2-[(4-oxoquinazolin-3-yl)methyl]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;3-[(5-butylfuran-2-yl)methyl]quinazolin-4-one;hydride;iodo(trimethyl)silane;methyl (3aS,7aS)-2-[(7-bromo-6-chloro-4-oxoquinazolin-3-yl)methyl]-2-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;hydroiodide
PubChem CID167592572
Molecular FormulaC78H88Br2Cl2I2KN11O14Si
Molecular Weight1955.33 g/mol
Exact Mass1951.18
IUPAC Namepotassium;3-[[5-(3-aminopropyl)furan-2-yl]methyl]-7-bromo-6-chloroquinazolin-4-one;benzyl (3aS,7aS)-2-hydroxy-2-[(4-oxoquinazolin-3-yl)methyl]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;3-[(5-butylfuran-2-yl)methyl]quinazolin-4-one;hydride;iodo(trimethyl)silane;methyl (3aS,7aS)-2-[(7-bromo-6-chloro-4-oxoquinazolin-3-yl)methyl]-2-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;hydroiodide
SMILESCCCCc1ccc(Cn2cnc3ccccc3c2=O)o1.COC(=O)N1CCC[C@@H]2OC(O)(Cn3cnc4cc(Br)c(Cl)cc4c3=O)C[C@@H]21.C[Si](C)(C)I.I.NCCCc1ccc(Cn2cnc3cc(Br)c(Cl)cc3c2=O)o1.O=C(OCc1ccccc1)N1CCC[C@@H]2OC(O)(Cn3cnc4ccccc4c3=O)C[C@@H]21.[H-].[K+]
InChIInChI=1S/C24H25N3O5.C18H19BrClN3O5.C17H18N2O2.C16H15BrClN3O2.C3H9ISi.HI.K.H/c28-22-18-9-4-5-10-19(18)25-16-26(22)15-24(30)13-20-21(32-24)11-6-12-27(20)23(29)31-14-17-7-2-1-3-8-17;1-27-17(25)23-4-2-3-15-14(23)7-18(26,28-15)8-22-9-21-13-6-11(19)12(20)5-10(13)16(22)24;1-2-3-6-13-9-10-14(21-13)11-19-12-18-16-8-5-4-7-15(16)17(19)20;17-13-7-15-12(6-14(13)18)16(22)21(9-20-15)8-11-4-3-10(23-11)2-1-5-19;1-5(2,3)4;;;/h1-5,7-10,16,20-21,30H,6,11-15H2;5-6,9,14-15,26H,2-4,7-8H2,1H3;4-5,7-10,12H,2-3,6,11H2,1H3;3-4,6-7,9H,1-2,5,8,19H2;1-3H3;1H;;/q;;;;;;+1;-1/t20-,21-,24?;14-,15-,18?;;;;;;/m00....../s1
InChIKeyLWJVQQVBPRVLJC-WGMZEIQHSA-N
XLogP11.91
TPSA309.86 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001955.33
LogP ≤ 511.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze potassium;3-[[5-(3-aminopropyl)furan-2-yl]methyl]-7-bromo-6-chloroquinazolin-4-one;benzyl (3aS,7aS)-2-hydroxy-2-[(4-oxoquinazolin-3-yl)methyl]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;3-[(5-butylfuran-2-yl)methyl]quinazolin-4-one;hydride;iodo(trimethyl)silane;methyl (3aS,7aS)-2-[(7-bromo-6-chloro-4-oxoquinazolin-3-yl)methyl]-2-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium;3-[[5-(3-aminopropyl)furan-2-yl]methyl]-7-bromo-6-chloroquinazolin-4-one;benzyl (3aS,7aS)-2-hydroxy-2-[(4-oxoquinazolin-3-yl)methyl]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;3-[(5-butylfuran-2-yl)methyl]quinazolin-4-one;hydride;iodo(trimethyl)silane;methyl (3aS,7aS)-2-[(7-bromo-6-chloro-4-oxoquinazolin-3-yl)methyl]-2-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;hydroiodide?
The IUPAC name of potassium;3-[[5-(3-aminopropyl)furan-2-yl]methyl]-7-bromo-6-chloroquinazolin-4-one;benzyl (3aS,7aS)-2-hydroxy-2-[(4-oxoquinazolin-3-yl)methyl]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;3-[(5-butylfuran-2-yl)methyl]quinazolin-4-one;hydride;iodo(trimethyl)silane;methyl (3aS,7aS)-2-[(7-bromo-6-chloro-4-oxoquinazolin-3-yl)methyl]-2-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;hydroiodide (CID 167592572) is potassium;3-[[5-(3-aminopropyl)furan-2-yl]methyl]-7-bromo-6-chloroquinazolin-4-one;benzyl (3aS,7aS)-2-hydroxy-2-[(4-oxoquinazolin-3-yl)methyl]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;3-[(5-butylfuran-2-yl)methyl]quinazolin-4-one;hydride;iodo(trimethyl)silane;methyl (3aS,7aS)-2-[(7-bromo-6-chloro-4-oxoquinazolin-3-yl)methyl]-2-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;hydroiodide.
What is the SMILES notation for potassium;3-[[5-(3-aminopropyl)furan-2-yl]methyl]-7-bromo-6-chloroquinazolin-4-one;benzyl (3aS,7aS)-2-hydroxy-2-[(4-oxoquinazolin-3-yl)methyl]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;3-[(5-butylfuran-2-yl)methyl]quinazolin-4-one;hydride;iodo(trimethyl)silane;methyl (3aS,7aS)-2-[(7-bromo-6-chloro-4-oxoquinazolin-3-yl)methyl]-2-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;hydroiodide?
The canonical SMILES for potassium;3-[[5-(3-aminopropyl)furan-2-yl]methyl]-7-bromo-6-chloroquinazolin-4-one;benzyl (3aS,7aS)-2-hydroxy-2-[(4-oxoquinazolin-3-yl)methyl]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;3-[(5-butylfuran-2-yl)methyl]quinazolin-4-one;hydride;iodo(trimethyl)silane;methyl (3aS,7aS)-2-[(7-bromo-6-chloro-4-oxoquinazolin-3-yl)methyl]-2-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;hydroiodide is CCCCc1ccc(Cn2cnc3ccccc3c2=O)o1.COC(=O)N1CCC[C@@H]2OC(O)(Cn3cnc4cc(Br)c(Cl)cc4c3=O)C[C@@H]21.C[Si](C)(C)I.I.NCCCc1ccc(Cn2cnc3cc(Br)c(Cl)cc3c2=O)o1.O=C(OCc1ccccc1)N1CCC[C@@H]2OC(O)(Cn3cnc4ccccc4c3=O)C[C@@H]21.[H-].[K+].
What is the InChIKey of potassium;3-[[5-(3-aminopropyl)furan-2-yl]methyl]-7-bromo-6-chloroquinazolin-4-one;benzyl (3aS,7aS)-2-hydroxy-2-[(4-oxoquinazolin-3-yl)methyl]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;3-[(5-butylfuran-2-yl)methyl]quinazolin-4-one;hydride;iodo(trimethyl)silane;methyl (3aS,7aS)-2-[(7-bromo-6-chloro-4-oxoquinazolin-3-yl)methyl]-2-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;hydroiodide?
The InChIKey is LWJVQQVBPRVLJC-WGMZEIQHSA-N. The full InChI is InChI=1S/C24H25N3O5.C18H19BrClN3O5.C17H18N2O2.C16H15BrClN3O2.C3H9ISi.HI.K.H/c28-22-18-9-4-5-10-19(18)25-16-26(22)15-24(30)13-20-21(32-24)11-6-12-27(20)23(29)31-14-17-7-2-1-3-8-17;1-27-17(25)23-4-2-3-15-14(23)7-18(26,28-15)8-22-9-21-13-6-11(19)12(20)5-10(13)16(22)24;1-2-3-6-13-9-10-14(21-13)11-19-12-18-16-8-5-4-7-15(16)17(19)20;17-13-7-15-12(6-14(13)18)16(22)21(9-20-15)8-11-4-3-10(23-11)2-1-5-19;1-5(2,3)4;;;/h1-5,7-10,16,20-21,30H,6,11-15H2;5-6,9,14-15,26H,2-4,7-8H2,1H3;4-5,7-10,12H,2-3,6,11H2,1H3;3-4,6-7,9H,1-2,5,8,19H2;1-3H3;1H;;/q;;;;;;+1;-1/t20-,21-,24?;14-,15-,18?;;;;;;/m00....../s1.
What are the key properties of potassium;3-[[5-(3-aminopropyl)furan-2-yl]methyl]-7-bromo-6-chloroquinazolin-4-one;benzyl (3aS,7aS)-2-hydroxy-2-[(4-oxoquinazolin-3-yl)methyl]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;3-[(5-butylfuran-2-yl)methyl]quinazolin-4-one;hydride;iodo(trimethyl)silane;methyl (3aS,7aS)-2-[(7-bromo-6-chloro-4-oxoquinazolin-3-yl)methyl]-2-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;hydroiodide?
potassium;3-[[5-(3-aminopropyl)furan-2-yl]methyl]-7-bromo-6-chloroquinazolin-4-one;benzyl (3aS,7aS)-2-hydroxy-2-[(4-oxoquinazolin-3-yl)methyl]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;3-[(5-butylfuran-2-yl)methyl]quinazolin-4-one;hydride;iodo(trimethyl)silane;methyl (3aS,7aS)-2-[(7-bromo-6-chloro-4-oxoquinazolin-3-yl)methyl]-2-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;hydroiodide has a molecular weight of 1955.33 g/mol, XLogP of 11.91, 16 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-[[5-(3-aminopropyl)furan-2-yl]methyl]-7-bromo-6-chloroquinazolin-4-one;benzyl (3aS,7aS)-2-hydroxy-2-[(4-oxoquinazolin-3-yl)methyl]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;3-[(5-butylfuran-2-yl)methyl]quinazolin-4-one;hydride;iodo(trimethyl)silane;methyl (3aS,7aS)-2-[(7-bromo-6-chloro-4-oxoquinazolin-3-yl)methyl]-2-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate;hydroiodide is sourced from PubChem (CID 167592572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).