6-bromo-4-chloro-3-nitroquinoline;bis(8-bromo-1,2-dimethylimidazo[4,5-c]quinoline);8-bromo-1,3-dimethylimidazo[4,5-c]quinolin-2-one;8-bromo-1-methyl-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-methyl-3-nitroquinolin-4-amine;6-bromo-4-N-methylquinoline-3,4-diamine;deuterio(iodo)methane;diethoxymethoxyethane;iodomethane;1,1,1-triethoxyethane

C93H100Br7ClI2N20O12 — CID 160596371

IUPAC6-bromo-4-chloro-3-nitroquinoline;bis(8-bromo-1,2-dimethylimidazo[4,5-c]quinoline);8-bromo-1,3-dimethylimidazo[4,5-c]quinolin-2-one;8-bromo-1-methyl-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-methyl-3-nitroquinolin-4-amine;6-bromo-4-N-methylquinoline-3,4-diamine;deuterio(iodo)methane;diethoxymethoxyethane;iodomethane;1,1,1-triethoxyethane
SMILESCCOC(C)(OCC)OCC.CCOC(OCC)OCC.CI.CNc1c(N)cnc2ccc(Br)cc12.CNc1c([N+](=O)[O-])cnc2ccc(Br)cc12.Cc1nc2cnc3ccc(Br)cc3c2n1C.Cc1nc2cnc3ccc(Br)cc3c2n1C.Cn1c(=O)[nH]c2cnc3ccc(Br)cc3c21.Cn1c(=O)n(C)c2c3cc(Br)ccc3ncc21.O=[N+]([O-])c1cnc2ccc(Br)cc2c1Cl.[2H]CI
InChIInChI=1S/C12H10BrN3O.2C12H10BrN3.C11H8BrN3O.C10H8BrN3O2.C10H10BrN3.C9H4BrClN2O2.C8H18O3.C7H16O3.2CH3I/c1-15-10-6-14-9-4-3-7(13)5-8(9)11(10)16(2)12(15)17;2*1-7-15-11-6-14-10-4-3-8(13)5-9(10)12(11)16(7)2;1-15-10-7-4-6(12)2-3-8(7)13-5-9(10)14-11(15)16;1-12-10-7-4-6(11)2-3-8(7)13-5-9(10)14(15)16;1-13-10-7-4-6(11)2-3-9(7)14-5-8(10)12;10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15;1-5-9-8(4,10-6-2)11-7-3;1-4-8-7(9-5-2)10-6-3;2*1-2/h3-6H,1-2H3;2*3-6H,1-2H3;2-5H,1H3,(H,14,16);2-5H,1H3,(H,12,13);2-5H,12H2,1H3,(H,13,14);1-4H;5-7H2,1-4H3;7H,4-6H2,1-3H3;2*1H3/i;;;;;;;;;1D;
InChIKeyRDROHFUAZCKBOK-VRTHQISOSA-N
MW2539.55 g/mol
LogP25.13
Rot. Bonds16

About 6-bromo-4-chloro-3-nitroquinoline;bis(8-bromo-1,2-dimethylimidazo[4,5-c]quinoline);8-bromo-1,3-dimethylimidazo[4,5-c]quinolin-2-one;8-bromo-1-methyl-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-methyl-3-nitroquinolin-4-amine;6-bromo-4-N-methylquinoline-3,4-diamine;deuterio(iodo)methane;diethoxymethoxyethane;iodomethane;1,1,1-triethoxyethane

6-bromo-4-chloro-3-nitroquinoline;bis(8-bromo-1,2-dimethylimidazo[4,5-c]quinoline);8-bromo-1,3-dimethylimidazo[4,5-c]quinolin-2-one;8-bromo-1-methyl-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-methyl-3-nitroquinolin-4-amine;6-bromo-4-N-methylquinoline-3,4-diamine;deuterio(iodo)methane;diethoxymethoxyethane;iodomethane;1,1,1-triethoxyethane (PubChem CID 160596371) has the molecular formula C93H100Br7ClI2N20O12 and a molecular weight of 2539.55 g/mol. Its IUPAC name is 6-bromo-4-chloro-3-nitroquinoline;bis(8-bromo-1,2-dimethylimidazo[4,5-c]quinoline);8-bromo-1,3-dimethylimidazo[4,5-c]quinolin-2-one;8-bromo-1-methyl-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-methyl-3-nitroquinolin-4-amine;6-bromo-4-N-methylquinoline-3,4-diamine;deuterio(iodo)methane;diethoxymethoxyethane;iodomethane;1,1,1-triethoxyethane.

Molecular Properties

Compound Name6-bromo-4-chloro-3-nitroquinoline;bis(8-bromo-1,2-dimethylimidazo[4,5-c]quinoline);8-bromo-1,3-dimethylimidazo[4,5-c]quinolin-2-one;8-bromo-1-methyl-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-methyl-3-nitroquinolin-4-amine;6-bromo-4-N-methylquinoline-3,4-diamine;deuterio(iodo)methane;diethoxymethoxyethane;iodomethane;1,1,1-triethoxyethane
PubChem CID160596371
Molecular FormulaC93H100Br7ClI2N20O12
Molecular Weight2539.55 g/mol
Exact Mass2531.00
IUPAC Name6-bromo-4-chloro-3-nitroquinoline;bis(8-bromo-1,2-dimethylimidazo[4,5-c]quinoline);8-bromo-1,3-dimethylimidazo[4,5-c]quinolin-2-one;8-bromo-1-methyl-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-methyl-3-nitroquinolin-4-amine;6-bromo-4-N-methylquinoline-3,4-diamine;deuterio(iodo)methane;diethoxymethoxyethane;iodomethane;1,1,1-triethoxyethane
SMILESCCOC(C)(OCC)OCC.CCOC(OCC)OCC.CI.CNc1c(N)cnc2ccc(Br)cc12.CNc1c([N+](=O)[O-])cnc2ccc(Br)cc12.Cc1nc2cnc3ccc(Br)cc3c2n1C.Cc1nc2cnc3ccc(Br)cc3c2n1C.Cn1c(=O)[nH]c2cnc3ccc(Br)cc3c21.Cn1c(=O)n(C)c2c3cc(Br)ccc3ncc21.O=[N+]([O-])c1cnc2ccc(Br)cc2c1Cl.[2H]CI
InChIInChI=1S/C12H10BrN3O.2C12H10BrN3.C11H8BrN3O.C10H8BrN3O2.C10H10BrN3.C9H4BrClN2O2.C8H18O3.C7H16O3.2CH3I/c1-15-10-6-14-9-4-3-7(13)5-8(9)11(10)16(2)12(15)17;2*1-7-15-11-6-14-10-4-3-8(13)5-9(10)12(11)16(7)2;1-15-10-7-4-6(12)2-3-8(7)13-5-9(10)14-11(15)16;1-12-10-7-4-6(11)2-3-8(7)13-5-9(10)14(15)16;1-13-10-7-4-6(11)2-3-9(7)14-5-8(10)12;10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15;1-5-9-8(4,10-6-2)11-7-3;1-4-8-7(9-5-2)10-6-3;2*1-2/h3-6H,1-2H3;2*3-6H,1-2H3;2-5H,1H3,(H,14,16);2-5H,1H3,(H,12,13);2-5H,12H2,1H3,(H,13,14);1-4H;5-7H2,1-4H3;7H,4-6H2,1-3H3;2*1H3/i;;;;;;;;;1D;
InChIKeyRDROHFUAZCKBOK-VRTHQISOSA-N
XLogP25.13
TPSA382.33 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds16
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002539.55
LogP ≤ 525.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-bromo-4-chloro-3-nitroquinoline;bis(8-bromo-1,2-dimethylimidazo[4,5-c]quinoline);8-bromo-1,3-dimethylimidazo[4,5-c]quinolin-2-one;8-bromo-1-methyl-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-methyl-3-nitroquinolin-4-amine;6-bromo-4-N-methylquinoline-3,4-diamine;deuterio(iodo)methane;diethoxymethoxyethane;iodomethane;1,1,1-triethoxyethane with MolForge

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Related Compounds

acetic acid;6-bromo-4-chloro-3-nitroquinoline;8-bromo-1-[(1S,3R)-3-fluorocyclopentyl]-2-methylimidazo[4,5-c]quinoline;6-bromo-N-[(1S,3R)-3-fluorocyclopentyl]-3-nitroquinolin-4-amine;6-bromo-4-N-[(1S,3R)-3-fluorocyclopentyl]quinoline-3,4-diamine;cis-(1S,3R)-3-fluorocyclopentan-1-amine;N,N-diethylethanamine;dioxoplatinum;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;henicosa-1,3,5,7,9,11,13,15,17,19-decayne;methane;1,1,1-triethoxyethane
CID 157758348
6-bromo-4-chloro-3-nitroquinoline;8-bromo-1,2-dimethylimidazo[4,5-c]quinoline;8-bromo-1,3-dimethylimidazo[4,5-c]quinolin-2-one;8-bromo-1-methylimidazo[4,5-c]quinoline;8-bromo-1-methyl-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-methyl-3-nitroquinolin-4-amine;6-bromo-4-N-methylquinoline-3,4-diamine;deuterio(iodo)methane;diethoxymethoxyethane;iodomethane;1,1,1-triethoxyethane
CID 159010488
6-bromo-4-chloro-3-nitroquinoline;8-bromo-3-methyl-1-(4-propylcyclohexyl)imidazo[4,5-c]quinolin-2-one;tert-butyl N-[[4-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexyl]methyl]carbamate;tert-butyl N-[(4-aminocyclohexyl)methyl]carbamate;tert-butyl N-[[4-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclohexyl]methyl]carbamate;tert-butyl N-[[4-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclohexyl]methyl]carbamate;ethyl acetate
CID 160551790

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-3-nitroquinoline;bis(8-bromo-1,2-dimethylimidazo[4,5-c]quinoline);8-bromo-1,3-dimethylimidazo[4,5-c]quinolin-2-one;8-bromo-1-methyl-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-methyl-3-nitroquinolin-4-amine;6-bromo-4-N-methylquinoline-3,4-diamine;deuterio(iodo)methane;diethoxymethoxyethane;iodomethane;1,1,1-triethoxyethane?
The IUPAC name of 6-bromo-4-chloro-3-nitroquinoline;bis(8-bromo-1,2-dimethylimidazo[4,5-c]quinoline);8-bromo-1,3-dimethylimidazo[4,5-c]quinolin-2-one;8-bromo-1-methyl-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-methyl-3-nitroquinolin-4-amine;6-bromo-4-N-methylquinoline-3,4-diamine;deuterio(iodo)methane;diethoxymethoxyethane;iodomethane;1,1,1-triethoxyethane (CID 160596371) is 6-bromo-4-chloro-3-nitroquinoline;bis(8-bromo-1,2-dimethylimidazo[4,5-c]quinoline);8-bromo-1,3-dimethylimidazo[4,5-c]quinolin-2-one;8-bromo-1-methyl-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-methyl-3-nitroquinolin-4-amine;6-bromo-4-N-methylquinoline-3,4-diamine;deuterio(iodo)methane;diethoxymethoxyethane;iodomethane;1,1,1-triethoxyethane.
What is the SMILES notation for 6-bromo-4-chloro-3-nitroquinoline;bis(8-bromo-1,2-dimethylimidazo[4,5-c]quinoline);8-bromo-1,3-dimethylimidazo[4,5-c]quinolin-2-one;8-bromo-1-methyl-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-methyl-3-nitroquinolin-4-amine;6-bromo-4-N-methylquinoline-3,4-diamine;deuterio(iodo)methane;diethoxymethoxyethane;iodomethane;1,1,1-triethoxyethane?
The canonical SMILES for 6-bromo-4-chloro-3-nitroquinoline;bis(8-bromo-1,2-dimethylimidazo[4,5-c]quinoline);8-bromo-1,3-dimethylimidazo[4,5-c]quinolin-2-one;8-bromo-1-methyl-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-methyl-3-nitroquinolin-4-amine;6-bromo-4-N-methylquinoline-3,4-diamine;deuterio(iodo)methane;diethoxymethoxyethane;iodomethane;1,1,1-triethoxyethane is CCOC(C)(OCC)OCC.CCOC(OCC)OCC.CI.CNc1c(N)cnc2ccc(Br)cc12.CNc1c([N+](=O)[O-])cnc2ccc(Br)cc12.Cc1nc2cnc3ccc(Br)cc3c2n1C.Cc1nc2cnc3ccc(Br)cc3c2n1C.Cn1c(=O)[nH]c2cnc3ccc(Br)cc3c21.Cn1c(=O)n(C)c2c3cc(Br)ccc3ncc21.O=[N+]([O-])c1cnc2ccc(Br)cc2c1Cl.[2H]CI.
What is the InChIKey of 6-bromo-4-chloro-3-nitroquinoline;bis(8-bromo-1,2-dimethylimidazo[4,5-c]quinoline);8-bromo-1,3-dimethylimidazo[4,5-c]quinolin-2-one;8-bromo-1-methyl-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-methyl-3-nitroquinolin-4-amine;6-bromo-4-N-methylquinoline-3,4-diamine;deuterio(iodo)methane;diethoxymethoxyethane;iodomethane;1,1,1-triethoxyethane?
The InChIKey is RDROHFUAZCKBOK-VRTHQISOSA-N. The full InChI is InChI=1S/C12H10BrN3O.2C12H10BrN3.C11H8BrN3O.C10H8BrN3O2.C10H10BrN3.C9H4BrClN2O2.C8H18O3.C7H16O3.2CH3I/c1-15-10-6-14-9-4-3-7(13)5-8(9)11(10)16(2)12(15)17;2*1-7-15-11-6-14-10-4-3-8(13)5-9(10)12(11)16(7)2;1-15-10-7-4-6(12)2-3-8(7)13-5-9(10)14-11(15)16;1-12-10-7-4-6(11)2-3-8(7)13-5-9(10)14(15)16;1-13-10-7-4-6(11)2-3-9(7)14-5-8(10)12;10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15;1-5-9-8(4,10-6-2)11-7-3;1-4-8-7(9-5-2)10-6-3;2*1-2/h3-6H,1-2H3;2*3-6H,1-2H3;2-5H,1H3,(H,14,16);2-5H,1H3,(H,12,13);2-5H,12H2,1H3,(H,13,14);1-4H;5-7H2,1-4H3;7H,4-6H2,1-3H3;2*1H3/i;;;;;;;;;1D;.
What are the key properties of 6-bromo-4-chloro-3-nitroquinoline;bis(8-bromo-1,2-dimethylimidazo[4,5-c]quinoline);8-bromo-1,3-dimethylimidazo[4,5-c]quinolin-2-one;8-bromo-1-methyl-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-methyl-3-nitroquinolin-4-amine;6-bromo-4-N-methylquinoline-3,4-diamine;deuterio(iodo)methane;diethoxymethoxyethane;iodomethane;1,1,1-triethoxyethane?
6-bromo-4-chloro-3-nitroquinoline;bis(8-bromo-1,2-dimethylimidazo[4,5-c]quinoline);8-bromo-1,3-dimethylimidazo[4,5-c]quinolin-2-one;8-bromo-1-methyl-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-methyl-3-nitroquinolin-4-amine;6-bromo-4-N-methylquinoline-3,4-diamine;deuterio(iodo)methane;diethoxymethoxyethane;iodomethane;1,1,1-triethoxyethane has a molecular weight of 2539.55 g/mol, XLogP of 25.13, 16 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-3-nitroquinoline;bis(8-bromo-1,2-dimethylimidazo[4,5-c]quinoline);8-bromo-1,3-dimethylimidazo[4,5-c]quinolin-2-one;8-bromo-1-methyl-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-N-methyl-3-nitroquinolin-4-amine;6-bromo-4-N-methylquinoline-3,4-diamine;deuterio(iodo)methane;diethoxymethoxyethane;iodomethane;1,1,1-triethoxyethane is sourced from PubChem (CID 160596371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).