6-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-nitroquinolin-4-amine;6-bromo-4-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]quinoline-3,4-diamine;ethanol

C44H68Br2N6O5Si2 — CID 158846394

IUPAC6-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-nitroquinolin-4-amine;6-bromo-4-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]quinoline-3,4-diamine;ethanol
SMILESCC(C)(C)[Si](C)(C)OC1CCC(Nc2c(N)cnc3ccc(Br)cc23)CC1.CC(C)(C)[Si](C)(C)OC1CCC(Nc2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1.CCO
InChIInChI=1S/C21H30BrN3O3Si.C21H32BrN3OSi.C2H6O/c1-21(2,3)29(4,5)28-16-9-7-15(8-10-16)24-20-17-12-14(22)6-11-18(17)23-13-19(20)25(26)27;1-21(2,3)27(4,5)26-16-9-7-15(8-10-16)25-20-17-12-14(22)6-11-19(17)24-13-18(20)23;1-2-3/h6,11-13,15-16H,7-10H2,1-5H3,(H,23,24);6,11-13,15-16H,7-10,23H2,1-5H3,(H,24,25);3H,2H2,1H3
InChIKeyIYWUJDCLHRNNEJ-UHFFFAOYSA-N
MW977.04 g/mol
LogP12.97
Rot. Bonds9

About 6-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-nitroquinolin-4-amine;6-bromo-4-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]quinoline-3,4-diamine;ethanol

6-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-nitroquinolin-4-amine;6-bromo-4-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]quinoline-3,4-diamine;ethanol (PubChem CID 158846394) has the molecular formula C44H68Br2N6O5Si2 and a molecular weight of 977.04 g/mol. Its IUPAC name is 6-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-nitroquinolin-4-amine;6-bromo-4-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]quinoline-3,4-diamine;ethanol.

Molecular Properties

Compound Name6-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-nitroquinolin-4-amine;6-bromo-4-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]quinoline-3,4-diamine;ethanol
PubChem CID158846394
Molecular FormulaC44H68Br2N6O5Si2
Molecular Weight977.04 g/mol
Exact Mass974.32
IUPAC Name6-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-nitroquinolin-4-amine;6-bromo-4-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]quinoline-3,4-diamine;ethanol
SMILESCC(C)(C)[Si](C)(C)OC1CCC(Nc2c(N)cnc3ccc(Br)cc23)CC1.CC(C)(C)[Si](C)(C)OC1CCC(Nc2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1.CCO
InChIInChI=1S/C21H30BrN3O3Si.C21H32BrN3OSi.C2H6O/c1-21(2,3)29(4,5)28-16-9-7-15(8-10-16)24-20-17-12-14(22)6-11-18(17)23-13-19(20)25(26)27;1-21(2,3)27(4,5)26-16-9-7-15(8-10-16)25-20-17-12-14(22)6-11-19(17)24-13-18(20)23;1-2-3/h6,11-13,15-16H,7-10H2,1-5H3,(H,23,24);6,11-13,15-16H,7-10,23H2,1-5H3,(H,24,25);3H,2H2,1H3
InChIKeyIYWUJDCLHRNNEJ-UHFFFAOYSA-N
XLogP12.97
TPSA157.69 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.04
LogP ≤ 512.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-nitroquinolin-4-amine;6-bromo-4-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]quinoline-3,4-diamine;ethanol with MolForge

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Launch Full Analysis

Related Compounds

4-[(6-Bromo-3-nitroquinolin-4-yl)amino]cyclohexan-1-ol
CID 45876142
4-[(6-Bromo-3-nitroquinolin-4-yl)amino]-1-methylcyclohexan-1-ol
CID 118101725
6-bromo-N-[(2R,4R)-2-methyloxan-4-yl]-3-nitroquinolin-4-amine
CID 126666573
5-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-nitroquinolin-4-amine
CID 140746933
6-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-nitroquinolin-4-amine
CID 140746936
6-bromo-4-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]quinoline-3,4-diamine
CID 140746938
[4-[(6-Bromo-3-nitroquinolin-4-yl)amino]cyclohexyl] tert-butyl carbonate
CID 141276986
2-[4-[(6-Bromo-3-nitroquinolin-4-yl)amino]-2,6-dimethylcyclohexyl]oxyethanol
CID 147132032
4-[[(6-Bromo-3-nitroquinolin-4-yl)amino]methyl]cyclohexan-1-ol
CID 147425307
4-Aminocyclohexan-1-ol;6-bromo-4-chloro-3-nitroquinoline;4-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclohexan-1-ol
CID 157973633
3-Aminocyclohexan-1-ol;6-bromo-4-chloro-3-nitroquinoline;3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclohexan-1-ol
CID 158074288
6-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-nitroquinolin-4-amine;4-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclohexan-1-ol;tert-butyl-chloro-dimethylsilane;methane
CID 158107084

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-nitroquinolin-4-amine;6-bromo-4-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]quinoline-3,4-diamine;ethanol?
The IUPAC name of 6-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-nitroquinolin-4-amine;6-bromo-4-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]quinoline-3,4-diamine;ethanol (CID 158846394) is 6-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-nitroquinolin-4-amine;6-bromo-4-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]quinoline-3,4-diamine;ethanol.
What is the SMILES notation for 6-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-nitroquinolin-4-amine;6-bromo-4-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]quinoline-3,4-diamine;ethanol?
The canonical SMILES for 6-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-nitroquinolin-4-amine;6-bromo-4-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]quinoline-3,4-diamine;ethanol is CC(C)(C)[Si](C)(C)OC1CCC(Nc2c(N)cnc3ccc(Br)cc23)CC1.CC(C)(C)[Si](C)(C)OC1CCC(Nc2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1.CCO.
What is the InChIKey of 6-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-nitroquinolin-4-amine;6-bromo-4-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]quinoline-3,4-diamine;ethanol?
The InChIKey is IYWUJDCLHRNNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30BrN3O3Si.C21H32BrN3OSi.C2H6O/c1-21(2,3)29(4,5)28-16-9-7-15(8-10-16)24-20-17-12-14(22)6-11-18(17)23-13-19(20)25(26)27;1-21(2,3)27(4,5)26-16-9-7-15(8-10-16)25-20-17-12-14(22)6-11-19(17)24-13-18(20)23;1-2-3/h6,11-13,15-16H,7-10H2,1-5H3,(H,23,24);6,11-13,15-16H,7-10,23H2,1-5H3,(H,24,25);3H,2H2,1H3.
What are the key properties of 6-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-nitroquinolin-4-amine;6-bromo-4-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]quinoline-3,4-diamine;ethanol?
6-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-nitroquinolin-4-amine;6-bromo-4-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]quinoline-3,4-diamine;ethanol has a molecular weight of 977.04 g/mol, XLogP of 12.97, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-nitroquinolin-4-amine;6-bromo-4-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]quinoline-3,4-diamine;ethanol is sourced from PubChem (CID 158846394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).