8-bromo-1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one

C24H32BrN5O2Si — CID 59619633

IUPAC8-bromo-1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1nn(CCO[Si](C)(C)C(C)(C)C)c(C)c1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21
InChIInChI=1S/C24H32BrN5O2Si/c1-15-21(16(2)29(27-15)11-12-32-33(7,8)24(3,4)5)30-22-18-13-17(25)9-10-19(18)26-14-20(22)28(6)23(30)31/h9-10,13-14H,11-12H2,1-8H3
InChIKeyINXCGCLDSMJRKN-UHFFFAOYSA-N
MW530.54 g/mol
LogP5.48
Rot. Bonds5

About 8-bromo-1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one

8-bromo-1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59619633) has the molecular formula C24H32BrN5O2Si and a molecular weight of 530.54 g/mol. Its IUPAC name is 8-bromo-1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59619633
Molecular FormulaC24H32BrN5O2Si
Molecular Weight530.54 g/mol
Exact Mass529.15
IUPAC Name8-bromo-1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1nn(CCO[Si](C)(C)C(C)(C)C)c(C)c1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21
InChIInChI=1S/C24H32BrN5O2Si/c1-15-21(16(2)29(27-15)11-12-32-33(7,8)24(3,4)5)30-22-18-13-17(25)9-10-19(18)26-14-20(22)28(6)23(30)31/h9-10,13-14H,11-12H2,1-8H3
InChIKeyINXCGCLDSMJRKN-UHFFFAOYSA-N
XLogP5.48
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.54
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 8-bromo-1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one (CID 59619633) is 8-bromo-1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one is Cc1nn(CCO[Si](C)(C)C(C)(C)C)c(C)c1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21.
What is the InChIKey of 8-bromo-1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is INXCGCLDSMJRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32BrN5O2Si/c1-15-21(16(2)29(27-15)11-12-32-33(7,8)24(3,4)5)30-22-18-13-17(25)9-10-19(18)26-14-20(22)28(6)23(30)31/h9-10,13-14H,11-12H2,1-8H3.
What are the key properties of 8-bromo-1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one?
8-bromo-1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 530.54 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).