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

C29H35FN2O3Si — CID 58928874

IUPAC7-[(4-fluorophenyl)methyl]-5-methoxy-6-methylidene-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one
SMILESC=C1c2c(c(O[Si](C(C)C)(C(C)C)C(C)C)c3ncccc3c2OC)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C29H35FN2O3Si/c1-17(2)36(18(3)4,19(5)6)35-28-25-24(27(34-8)23-10-9-15-31-26(23)28)20(7)32(29(25)33)16-21-11-13-22(30)14-12-21/h9-15,17-19H,7,16H2,1-6,8H3
InChIKeyFPOUKEZFVPDCAP-UHFFFAOYSA-N
MW506.69 g/mol
LogP7.56
Rot. Bonds8

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

7-[(4-fluorophenyl)methyl]-5-methoxy-6-methylidene-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one (PubChem CID 58928874) has the molecular formula C29H35FN2O3Si and a molecular weight of 506.69 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-5-methoxy-6-methylidene-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-5-methoxy-6-methylidene-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one
PubChem CID58928874
Molecular FormulaC29H35FN2O3Si
Molecular Weight506.69 g/mol
Exact Mass506.24
IUPAC Name7-[(4-fluorophenyl)methyl]-5-methoxy-6-methylidene-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one
SMILESC=C1c2c(c(O[Si](C(C)C)(C(C)C)C(C)C)c3ncccc3c2OC)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C29H35FN2O3Si/c1-17(2)36(18(3)4,19(5)6)35-28-25-24(27(34-8)23-10-9-15-31-26(23)28)20(7)32(29(25)33)16-21-11-13-22(30)14-12-21/h9-15,17-19H,7,16H2,1-6,8H3
InChIKeyFPOUKEZFVPDCAP-UHFFFAOYSA-N
XLogP7.56
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.69
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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]-5-methoxy-6-methylidene-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-5-methoxy-6-methylidene-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one (CID 58928874) is 7-[(4-fluorophenyl)methyl]-5-methoxy-6-methylidene-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-5-methoxy-6-methylidene-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-5-methoxy-6-methylidene-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one is C=C1c2c(c(O[Si](C(C)C)(C(C)C)C(C)C)c3ncccc3c2OC)C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-5-methoxy-6-methylidene-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one?
The InChIKey is FPOUKEZFVPDCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN2O3Si/c1-17(2)36(18(3)4,19(5)6)35-28-25-24(27(34-8)23-10-9-15-31-26(23)28)20(7)32(29(25)33)16-21-11-13-22(30)14-12-21/h9-15,17-19H,7,16H2,1-6,8H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-5-methoxy-6-methylidene-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one?
7-[(4-fluorophenyl)methyl]-5-methoxy-6-methylidene-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one has a molecular weight of 506.69 g/mol, XLogP of 7.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-5-methoxy-6-methylidene-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 58928874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).