(3Z)-2-quinolin-8-yl-3-[tri(propan-2-yl)silylmethylidene]isoindol-1-one

C27H32N2OSi — CID 166443807

IUPAC(3Z)-2-quinolin-8-yl-3-[tri(propan-2-yl)silylmethylidene]isoindol-1-one
SMILESCC(C)[Si](/C=C1/c2ccccc2C(=O)N1c1cccc2cccnc12)(C(C)C)C(C)C
InChIInChI=1S/C27H32N2OSi/c1-18(2)31(19(3)4,20(5)6)17-25-22-13-7-8-14-23(22)27(30)29(25)24-15-9-11-21-12-10-16-28-26(21)24/h7-20H,1-6H3/b25-17-
InChIKeyFHCBENJHAPLPTQ-UQQQWYQISA-N
MW428.65 g/mol
LogP7.45
Rot. Bonds5

About (3Z)-2-quinolin-8-yl-3-[tri(propan-2-yl)silylmethylidene]isoindol-1-one

(3Z)-2-quinolin-8-yl-3-[tri(propan-2-yl)silylmethylidene]isoindol-1-one (PubChem CID 166443807) has the molecular formula C27H32N2OSi and a molecular weight of 428.65 g/mol. Its IUPAC name is (3Z)-2-quinolin-8-yl-3-[tri(propan-2-yl)silylmethylidene]isoindol-1-one.

Molecular Properties

Compound Name(3Z)-2-quinolin-8-yl-3-[tri(propan-2-yl)silylmethylidene]isoindol-1-one
PubChem CID166443807
Molecular FormulaC27H32N2OSi
Molecular Weight428.65 g/mol
Exact Mass428.23
IUPAC Name(3Z)-2-quinolin-8-yl-3-[tri(propan-2-yl)silylmethylidene]isoindol-1-one
SMILESCC(C)[Si](/C=C1/c2ccccc2C(=O)N1c1cccc2cccnc12)(C(C)C)C(C)C
InChIInChI=1S/C27H32N2OSi/c1-18(2)31(19(3)4,20(5)6)17-25-22-13-7-8-14-23(22)27(30)29(25)24-15-9-11-21-12-10-16-28-26(21)24/h7-20H,1-6H3/b25-17-
InChIKeyFHCBENJHAPLPTQ-UQQQWYQISA-N
XLogP7.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.65
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-2-quinolin-8-yl-3-[tri(propan-2-yl)silylmethylidene]isoindol-1-one with MolForge

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Related Compounds

5,6-dichloro-2-quinolin-8-ylisoindole-1,3-dione
CID 2168091
(3E)-3-benzylidene-5-methoxy-2-quinolin-8-ylisoindol-1-one
CID 122382793
3,4-dimethyl-5-methylidene-1-quinolin-8-ylpyrrol-2-one
CID 141397224
(3Z)-5-methyl-2-quinolin-8-yl-3-(thiophen-2-ylmethylidene)isoindol-1-one
CID 102337270
5-bromo-3-methylidene-2-quinolin-8-ylisoindol-1-one
CID 174756197
6-methyl-3-methylidene-2-quinolin-8-ylisoindol-1-one
CID 141397233
4-(4-chlorophenoxy)-2-quinolin-8-ylisoindole-1,3-dione
CID 1329880
1-(quinolin-8-ylmethyl)indole-2,3-dione
CID 3008305
3-(2,6-dimethylphenyl)imino-2-quinolin-8-ylpyrrolo[3,4-c]pyridin-1-one
CID 166443239
3-quinolin-8-ylimidazolidine-2,4-dione
CID 106702916
ethane;2-[2-(1-hydroxy-3-oxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione
CID 136653630
5-bromo-3-(2,6-dimethylphenyl)imino-2-quinolin-8-ylisoindol-1-one
CID 122202711

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-quinolin-8-yl-3-[tri(propan-2-yl)silylmethylidene]isoindol-1-one?
The IUPAC name of (3Z)-2-quinolin-8-yl-3-[tri(propan-2-yl)silylmethylidene]isoindol-1-one (CID 166443807) is (3Z)-2-quinolin-8-yl-3-[tri(propan-2-yl)silylmethylidene]isoindol-1-one.
What is the SMILES notation for (3Z)-2-quinolin-8-yl-3-[tri(propan-2-yl)silylmethylidene]isoindol-1-one?
The canonical SMILES for (3Z)-2-quinolin-8-yl-3-[tri(propan-2-yl)silylmethylidene]isoindol-1-one is CC(C)[Si](/C=C1/c2ccccc2C(=O)N1c1cccc2cccnc12)(C(C)C)C(C)C.
What is the InChIKey of (3Z)-2-quinolin-8-yl-3-[tri(propan-2-yl)silylmethylidene]isoindol-1-one?
The InChIKey is FHCBENJHAPLPTQ-UQQQWYQISA-N. The full InChI is InChI=1S/C27H32N2OSi/c1-18(2)31(19(3)4,20(5)6)17-25-22-13-7-8-14-23(22)27(30)29(25)24-15-9-11-21-12-10-16-28-26(21)24/h7-20H,1-6H3/b25-17-.
What are the key properties of (3Z)-2-quinolin-8-yl-3-[tri(propan-2-yl)silylmethylidene]isoindol-1-one?
(3Z)-2-quinolin-8-yl-3-[tri(propan-2-yl)silylmethylidene]isoindol-1-one has a molecular weight of 428.65 g/mol, XLogP of 7.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-quinolin-8-yl-3-[tri(propan-2-yl)silylmethylidene]isoindol-1-one is sourced from PubChem (CID 166443807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).