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

C43H65Br2ClN6O6Si2 — CID 158107084

IUPAC6-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
SMILESC.CC(C)(C)[Si](C)(C)Cl.CC(C)(C)[Si](C)(C)OC1CCC(Nc2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1.O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC1CCC(O)CC1
InChIInChI=1S/C21H30BrN3O3Si.C15H16BrN3O3.C6H15ClSi.CH4/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;16-9-1-6-13-12(7-9)15(14(8-17-13)19(21)22)18-10-2-4-11(20)5-3-10;1-6(2,3)8(4,5)7;/h6,11-13,15-16H,7-10H2,1-5H3,(H,23,24);1,6-8,10-11,20H,2-5H2,(H,17,18);1-5H3;1H4
InChIKeyFPYUQSDLBGNMJH-UHFFFAOYSA-N
MW1013.46 g/mol
LogP14.14
Rot. Bonds8

About 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

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 (PubChem CID 158107084) has the molecular formula C43H65Br2ClN6O6Si2 and a molecular weight of 1013.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID158107084
Molecular FormulaC43H65Br2ClN6O6Si2
Molecular Weight1013.46 g/mol
Exact Mass1010.26
IUPAC Name6-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
SMILESC.CC(C)(C)[Si](C)(C)Cl.CC(C)(C)[Si](C)(C)OC1CCC(Nc2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1.O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC1CCC(O)CC1
InChIInChI=1S/C21H30BrN3O3Si.C15H16BrN3O3.C6H15ClSi.CH4/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;16-9-1-6-13-12(7-9)15(14(8-17-13)19(21)22)18-10-2-4-11(20)5-3-10;1-6(2,3)8(4,5)7;/h6,11-13,15-16H,7-10H2,1-5H3,(H,23,24);1,6-8,10-11,20H,2-5H2,(H,17,18);1-5H3;1H4
InChIKeyFPYUQSDLBGNMJH-UHFFFAOYSA-N
XLogP14.14
TPSA165.58 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.46
LogP ≤ 514.14
H-Bond Donors ≤ 53
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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
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]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;6-bromo-4-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]quinoline-3,4-diamine;ethanol
CID 158846394
4-Amino-1-methylcyclohexan-1-ol;6-bromo-4-chloro-3-nitroquinoline;4-[(6-bromo-3-nitroquinolin-4-yl)amino]-1-methylcyclohexan-1-ol
CID 159078524
4-[(3-Amino-6-bromoquinolin-4-yl)amino]-1-methylcyclohexan-1-ol;4-[(6-bromo-3-nitroquinolin-4-yl)amino]-1-methylcyclohexan-1-ol;ethanol
CID 159390174
6-bromo-N-(4-methylcyclohexyl)-3-nitroquinolin-4-amine;6-bromo-4-N-(4-methylcyclohexyl)quinoline-3,4-diamine;bis(carbon dioxide)
CID 160173914

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CC(C)(C)[Si](C)(C)Cl.CC(C)(C)[Si](C)(C)OC1CCC(Nc2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1.O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC1CCC(O)CC1.
What is the InChIKey of 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?
The InChIKey is FPYUQSDLBGNMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30BrN3O3Si.C15H16BrN3O3.C6H15ClSi.CH4/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;16-9-1-6-13-12(7-9)15(14(8-17-13)19(21)22)18-10-2-4-11(20)5-3-10;1-6(2,3)8(4,5)7;/h6,11-13,15-16H,7-10H2,1-5H3,(H,23,24);1,6-8,10-11,20H,2-5H2,(H,17,18);1-5H3;1H4.
What are the key properties of 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?
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 has a molecular weight of 1013.46 g/mol, XLogP of 14.14, 8 rotatable bonds, 3 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;4-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclohexan-1-ol;tert-butyl-chloro-dimethylsilane;methane is sourced from PubChem (CID 158107084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).