7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one

C34H39FN2O4Si — CID 58928756

IUPAC7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one
SMILESCOc1c2c(c(O[Si](C(C)C)(C(C)C)C(C)C)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2(O)c1ccccc1
InChIInChI=1S/C34H39FN2O4Si/c1-21(2)42(22(3)4,23(5)6)41-32-28-29(31(40-7)27-14-11-19-36-30(27)32)34(39,25-12-9-8-10-13-25)37(33(28)38)20-24-15-17-26(35)18-16-24/h8-19,21-23,39H,20H2,1-7H3
InChIKeyAECLYVWDOYYVNK-UHFFFAOYSA-N
MW586.78 g/mol
LogP7.79
Rot. Bonds9

About 7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one

7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one (PubChem CID 58928756) has the molecular formula C34H39FN2O4Si and a molecular weight of 586.78 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one
PubChem CID58928756
Molecular FormulaC34H39FN2O4Si
Molecular Weight586.78 g/mol
Exact Mass586.27
IUPAC Name7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one
SMILESCOc1c2c(c(O[Si](C(C)C)(C(C)C)C(C)C)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2(O)c1ccccc1
InChIInChI=1S/C34H39FN2O4Si/c1-21(2)42(22(3)4,23(5)6)41-32-28-29(31(40-7)27-14-11-19-36-30(27)32)34(39,25-12-9-8-10-13-25)37(33(28)38)20-24-15-17-26(35)18-16-24/h8-19,21-23,39H,20H2,1-7H3
InChIKeyAECLYVWDOYYVNK-UHFFFAOYSA-N
XLogP7.79
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.78
LogP ≤ 57.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one (CID 58928756) is 7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one is COc1c2c(c(O[Si](C(C)C)(C(C)C)C(C)C)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2(O)c1ccccc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one?
The InChIKey is AECLYVWDOYYVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39FN2O4Si/c1-21(2)42(22(3)4,23(5)6)41-32-28-29(31(40-7)27-14-11-19-36-30(27)32)34(39,25-12-9-8-10-13-25)37(33(28)38)20-24-15-17-26(35)18-16-24/h8-19,21-23,39H,20H2,1-7H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one?
7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one has a molecular weight of 586.78 g/mol, XLogP of 7.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-6-hydroxy-5-methoxy-6-phenyl-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 58928756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).