8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[6-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one

C42H42F3N7O2Si — CID 59612964

IUPAC8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[6-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1nc(N(C)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)ccc1-n1c(=O)n(C)c2cnc3ccc(-c4cnc(N)c(C(F)(F)F)c4)cc3c21
InChIInChI=1S/C42H42F3N7O2Si/c1-27-35(19-20-37(49-27)50(5)21-22-54-55(41(2,3)4,30-13-9-7-10-14-30)31-15-11-8-12-16-31)52-38-32-23-28(29-24-33(42(43,44)45)39(46)48-25-29)17-18-34(32)47-26-36(38)51(6)40(52)53/h7-20,23-26H,21-22H2,1-6H3,(H2,46,48)
InChIKeyNHAPPMGDGACNKL-UHFFFAOYSA-N
MW761.92 g/mol
LogP7.26
Rot. Bonds9

About 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[6-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one

8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[6-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59612964) has the molecular formula C42H42F3N7O2Si and a molecular weight of 761.92 g/mol. Its IUPAC name is 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[6-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[6-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59612964
Molecular FormulaC42H42F3N7O2Si
Molecular Weight761.92 g/mol
Exact Mass761.31
IUPAC Name8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[6-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1nc(N(C)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)ccc1-n1c(=O)n(C)c2cnc3ccc(-c4cnc(N)c(C(F)(F)F)c4)cc3c21
InChIInChI=1S/C42H42F3N7O2Si/c1-27-35(19-20-37(49-27)50(5)21-22-54-55(41(2,3)4,30-13-9-7-10-14-30)31-15-11-8-12-16-31)52-38-32-23-28(29-24-33(42(43,44)45)39(46)48-25-29)17-18-34(32)47-26-36(38)51(6)40(52)53/h7-20,23-26H,21-22H2,1-6H3,(H2,46,48)
InChIKeyNHAPPMGDGACNKL-UHFFFAOYSA-N
XLogP7.26
TPSA104.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.92
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[6-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[6-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (CID 59612964) is 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[6-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[6-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[6-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is Cc1nc(N(C)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)ccc1-n1c(=O)n(C)c2cnc3ccc(-c4cnc(N)c(C(F)(F)F)c4)cc3c21.
What is the InChIKey of 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[6-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is NHAPPMGDGACNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42F3N7O2Si/c1-27-35(19-20-37(49-27)50(5)21-22-54-55(41(2,3)4,30-13-9-7-10-14-30)31-15-11-8-12-16-31)52-38-32-23-28(29-24-33(42(43,44)45)39(46)48-25-29)17-18-34(32)47-26-36(38)51(6)40(52)53/h7-20,23-26H,21-22H2,1-6H3,(H2,46,48).
What are the key properties of 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[6-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[6-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 761.92 g/mol, XLogP of 7.26, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[6-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59612964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).