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

C109H143Br5ClN19O16 — CID 160551790

IUPAC6-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
SMILESCC(C)(C)OC(=O)NCC1CCC(N)CC1.CC(C)(C)OC(=O)NCC1CCC(Nc2c(N)cnc3ccc(Br)cc23)CC1.CC(C)(C)OC(=O)NCC1CCC(Nc2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1.CC(C)(C)OC(=O)NCC1CCC(n2c(=O)[nH]c3cnc4ccc(Br)cc4c32)CC1.CCCC1CCC(n2c(=O)n(C)c3cnc4ccc(Br)cc4c32)CC1.CCOC(C)=O.O=[N+]([O-])c1cnc2ccc(Br)cc2c1Cl
InChIInChI=1S/C22H27BrN4O3.C21H27BrN4O4.C21H29BrN4O2.C20H24BrN3O.C12H24N2O2.C9H4BrClN2O2.C4H8O2/c1-22(2,3)30-21(29)25-11-13-4-7-15(8-5-13)27-19-16-10-14(23)6-9-17(16)24-12-18(19)26-20(27)28;1-21(2,3)30-20(27)24-11-13-4-7-15(8-5-13)25-19-16-10-14(22)6-9-17(16)23-12-18(19)26(28)29;1-21(2,3)28-20(27)25-11-13-4-7-15(8-5-13)26-19-16-10-14(22)6-9-18(16)24-12-17(19)23;1-3-4-13-5-8-15(9-6-13)24-19-16-11-14(21)7-10-17(16)22-12-18(19)23(2)20(24)25;1-12(2,3)16-11(15)14-8-9-4-6-10(13)7-5-9;10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15;1-3-6-4(2)5/h6,9-10,12-13,15H,4-5,7-8,11H2,1-3H3,(H,25,29)(H,26,28);6,9-10,12-13,15H,4-5,7-8,11H2,1-3H3,(H,23,25)(H,24,27);6,9-10,12-13,15H,4-5,7-8,11,23H2,1-3H3,(H,24,26)(H,25,27);7,10-13,15H,3-6,8-9H2,1-2H3;9-10H,4-8,13H2,1-3H3,(H,14,15);1-4H;3H2,1-2H3
InChIKeyQYEDSWQWQMYSLQ-UHFFFAOYSA-N
MW2410.43 g/mol
LogP26.71
Rot. Bonds19

About 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

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 (PubChem CID 160551790) has the molecular formula C109H143Br5ClN19O16 and a molecular weight of 2410.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID160551790
Molecular FormulaC109H143Br5ClN19O16
Molecular Weight2410.43 g/mol
Exact Mass2403.66
IUPAC Name6-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
SMILESCC(C)(C)OC(=O)NCC1CCC(N)CC1.CC(C)(C)OC(=O)NCC1CCC(Nc2c(N)cnc3ccc(Br)cc23)CC1.CC(C)(C)OC(=O)NCC1CCC(Nc2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1.CC(C)(C)OC(=O)NCC1CCC(n2c(=O)[nH]c3cnc4ccc(Br)cc4c32)CC1.CCCC1CCC(n2c(=O)n(C)c3cnc4ccc(Br)cc4c32)CC1.CCOC(C)=O.O=[N+]([O-])c1cnc2ccc(Br)cc2c1Cl
InChIInChI=1S/C22H27BrN4O3.C21H27BrN4O4.C21H29BrN4O2.C20H24BrN3O.C12H24N2O2.C9H4BrClN2O2.C4H8O2/c1-22(2,3)30-21(29)25-11-13-4-7-15(8-5-13)27-19-16-10-14(23)6-9-17(16)24-12-18(19)26-20(27)28;1-21(2,3)30-20(27)24-11-13-4-7-15(8-5-13)25-19-16-10-14(22)6-9-17(16)23-12-18(19)26(28)29;1-21(2,3)28-20(27)25-11-13-4-7-15(8-5-13)26-19-16-10-14(22)6-9-18(16)24-12-17(19)23;1-3-4-13-5-8-15(9-6-13)24-19-16-11-14(21)7-10-17(16)22-12-18(19)23(2)20(24)25;1-12(2,3)16-11(15)14-8-9-4-6-10(13)7-5-9;10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15;1-3-6-4(2)5/h6,9-10,12-13,15H,4-5,7-8,11H2,1-3H3,(H,25,29)(H,26,28);6,9-10,12-13,15H,4-5,7-8,11H2,1-3H3,(H,23,25)(H,24,27);6,9-10,12-13,15H,4-5,7-8,11,23H2,1-3H3,(H,24,26)(H,25,27);7,10-13,15H,3-6,8-9H2,1-2H3;9-10H,4-8,13H2,1-3H3,(H,14,15);1-4H;3H2,1-2H3
InChIKeyQYEDSWQWQMYSLQ-UHFFFAOYSA-N
XLogP26.71
TPSA471.17 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds19
Heavy Atoms150
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002410.43
LogP ≤ 526.71
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', '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;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)NCC1CCC(N)CC1.CC(C)(C)OC(=O)NCC1CCC(Nc2c(N)cnc3ccc(Br)cc23)CC1.CC(C)(C)OC(=O)NCC1CCC(Nc2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1.CC(C)(C)OC(=O)NCC1CCC(n2c(=O)[nH]c3cnc4ccc(Br)cc4c32)CC1.CCCC1CCC(n2c(=O)n(C)c3cnc4ccc(Br)cc4c32)CC1.CCOC(C)=O.O=[N+]([O-])c1cnc2ccc(Br)cc2c1Cl.
What is the InChIKey of 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?
The InChIKey is QYEDSWQWQMYSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN4O3.C21H27BrN4O4.C21H29BrN4O2.C20H24BrN3O.C12H24N2O2.C9H4BrClN2O2.C4H8O2/c1-22(2,3)30-21(29)25-11-13-4-7-15(8-5-13)27-19-16-10-14(23)6-9-17(16)24-12-18(19)26-20(27)28;1-21(2,3)30-20(27)24-11-13-4-7-15(8-5-13)25-19-16-10-14(22)6-9-17(16)23-12-18(19)26(28)29;1-21(2,3)28-20(27)25-11-13-4-7-15(8-5-13)26-19-16-10-14(22)6-9-18(16)24-12-17(19)23;1-3-4-13-5-8-15(9-6-13)24-19-16-11-14(21)7-10-17(16)22-12-18(19)23(2)20(24)25;1-12(2,3)16-11(15)14-8-9-4-6-10(13)7-5-9;10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15;1-3-6-4(2)5/h6,9-10,12-13,15H,4-5,7-8,11H2,1-3H3,(H,25,29)(H,26,28);6,9-10,12-13,15H,4-5,7-8,11H2,1-3H3,(H,23,25)(H,24,27);6,9-10,12-13,15H,4-5,7-8,11,23H2,1-3H3,(H,24,26)(H,25,27);7,10-13,15H,3-6,8-9H2,1-2H3;9-10H,4-8,13H2,1-3H3,(H,14,15);1-4H;3H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2410.43 g/mol, XLogP of 26.71, 19 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160551790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).