8-(5-aminopentyl)-1-benzyl-2-butylimidazo[4,5-c]quinolin-4-amine;N-benzyl-6-bromo-3-nitroquinolin-4-amine;5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pentan-1-amine;6-bromo-4-chloro-3-nitroquinoline;6-bromo-3-nitro-1H-quinolin-4-one;tert-butyl N-[5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pent-4-ynyl]carbamate;ethane

C125H146Br3ClN20O9 — CID 160837201

IUPAC8-(5-aminopentyl)-1-benzyl-2-butylimidazo[4,5-c]quinolin-4-amine;N-benzyl-6-bromo-3-nitroquinolin-4-amine;5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pentan-1-amine;6-bromo-4-chloro-3-nitroquinoline;6-bromo-3-nitro-1H-quinolin-4-one;tert-butyl N-[5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pent-4-ynyl]carbamate;ethane
SMILESCC.CC.CC.CC.CCCCc1nc2c(N)nc3ccc(CCCCCN)cc3c2n1Cc1ccccc1.CCCCc1nc2cnc3ccc(C#CCCCNC(=O)OC(C)(C)C)cc3c2n1Cc1ccccc1.CCCCc1nc2cnc3ccc(CCCCCN)cc3c2n1Cc1ccccc1.O=[N+]([O-])c1cnc2ccc(Br)cc2c1Cl.O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCc1ccccc1.O=c1c([N+](=O)[O-])c[nH]c2ccc(Br)cc12
InChIInChI=1S/C31H36N4O2.C26H33N5.C26H32N4.C16H12BrN3O2.C9H4BrClN2O2.C9H5BrN2O3.4C2H6/c1-5-6-16-28-34-27-21-33-26-18-17-23(13-11-8-12-19-32-30(36)37-31(2,3)4)20-25(26)29(27)35(28)22-24-14-9-7-10-15-24;1-2-3-13-23-30-24-25(31(23)18-20-11-6-4-7-12-20)21-17-19(10-8-5-9-16-27)14-15-22(21)29-26(24)28;1-2-3-13-25-29-24-18-28-23-15-14-20(10-8-5-9-16-27)17-22(23)26(24)30(25)19-21-11-6-4-7-12-21;17-12-6-7-14-13(8-12)16(15(10-18-14)20(21)22)19-9-11-4-2-1-3-5-11;10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15;10-5-1-2-7-6(3-5)9(13)8(4-11-7)12(14)15;4*1-2/h7,9-10,14-15,17-18,20-21H,5-6,8,12,16,19,22H2,1-4H3,(H,32,36);4,6-7,11-12,14-15,17H,2-3,5,8-10,13,16,18,27H2,1H3,(H2,28,29);4,6-7,11-12,14-15,17-18H,2-3,5,8-10,13,16,19,27H2,1H3;1-8,10H,9H2,(H,18,19);1-4H;1-4H,(H,11,13);4*1-2H3
InChIKeySHODUSZJNGACMY-UHFFFAOYSA-N
MW2347.84 g/mol
LogP31.89
Rot. Bonds34

About 8-(5-aminopentyl)-1-benzyl-2-butylimidazo[4,5-c]quinolin-4-amine;N-benzyl-6-bromo-3-nitroquinolin-4-amine;5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pentan-1-amine;6-bromo-4-chloro-3-nitroquinoline;6-bromo-3-nitro-1H-quinolin-4-one;tert-butyl N-[5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pent-4-ynyl]carbamate;ethane

8-(5-aminopentyl)-1-benzyl-2-butylimidazo[4,5-c]quinolin-4-amine;N-benzyl-6-bromo-3-nitroquinolin-4-amine;5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pentan-1-amine;6-bromo-4-chloro-3-nitroquinoline;6-bromo-3-nitro-1H-quinolin-4-one;tert-butyl N-[5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pent-4-ynyl]carbamate;ethane (PubChem CID 160837201) has the molecular formula C125H146Br3ClN20O9 and a molecular weight of 2347.84 g/mol. Its IUPAC name is 8-(5-aminopentyl)-1-benzyl-2-butylimidazo[4,5-c]quinolin-4-amine;N-benzyl-6-bromo-3-nitroquinolin-4-amine;5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pentan-1-amine;6-bromo-4-chloro-3-nitroquinoline;6-bromo-3-nitro-1H-quinolin-4-one;tert-butyl N-[5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pent-4-ynyl]carbamate;ethane.

Molecular Properties

Compound Name8-(5-aminopentyl)-1-benzyl-2-butylimidazo[4,5-c]quinolin-4-amine;N-benzyl-6-bromo-3-nitroquinolin-4-amine;5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pentan-1-amine;6-bromo-4-chloro-3-nitroquinoline;6-bromo-3-nitro-1H-quinolin-4-one;tert-butyl N-[5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pent-4-ynyl]carbamate;ethane
PubChem CID160837201
Molecular FormulaC125H146Br3ClN20O9
Molecular Weight2347.84 g/mol
Exact Mass2342.88
IUPAC Name8-(5-aminopentyl)-1-benzyl-2-butylimidazo[4,5-c]quinolin-4-amine;N-benzyl-6-bromo-3-nitroquinolin-4-amine;5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pentan-1-amine;6-bromo-4-chloro-3-nitroquinoline;6-bromo-3-nitro-1H-quinolin-4-one;tert-butyl N-[5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pent-4-ynyl]carbamate;ethane
SMILESCC.CC.CC.CC.CCCCc1nc2c(N)nc3ccc(CCCCCN)cc3c2n1Cc1ccccc1.CCCCc1nc2cnc3ccc(C#CCCCNC(=O)OC(C)(C)C)cc3c2n1Cc1ccccc1.CCCCc1nc2cnc3ccc(CCCCCN)cc3c2n1Cc1ccccc1.O=[N+]([O-])c1cnc2ccc(Br)cc2c1Cl.O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCc1ccccc1.O=c1c([N+](=O)[O-])c[nH]c2ccc(Br)cc12
InChIInChI=1S/C31H36N4O2.C26H33N5.C26H32N4.C16H12BrN3O2.C9H4BrClN2O2.C9H5BrN2O3.4C2H6/c1-5-6-16-28-34-27-21-33-26-18-17-23(13-11-8-12-19-32-30(36)37-31(2,3)4)20-25(26)29(27)35(28)22-24-14-9-7-10-15-24;1-2-3-13-23-30-24-25(31(23)18-20-11-6-4-7-12-20)21-17-19(10-8-5-9-16-27)14-15-22(21)29-26(24)28;1-2-3-13-25-29-24-18-28-23-15-14-20(10-8-5-9-16-27)17-22(23)26(24)30(25)19-21-11-6-4-7-12-21;17-12-6-7-14-13(8-12)16(15(10-18-14)20(21)22)19-9-11-4-2-1-3-5-11;10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15;10-5-1-2-7-6(3-5)9(13)8(4-11-7)12(14)15;4*1-2/h7,9-10,14-15,17-18,20-21H,5-6,8,12,16,19,22H2,1-4H3,(H,32,36);4,6-7,11-12,14-15,17H,2-3,5,8-10,13,16,18,27H2,1H3,(H2,28,29);4,6-7,11-12,14-15,17-18H,2-3,5,8-10,13,16,19,27H2,1H3;1-8,10H,9H2,(H,18,19);1-4H;1-4H,(H,11,13);4*1-2H3
InChIKeySHODUSZJNGACMY-UHFFFAOYSA-N
XLogP31.89
TPSA408.61 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds34
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002347.84
LogP ≤ 531.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 8-(5-aminopentyl)-1-benzyl-2-butylimidazo[4,5-c]quinolin-4-amine;N-benzyl-6-bromo-3-nitroquinolin-4-amine;5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pentan-1-amine;6-bromo-4-chloro-3-nitroquinoline;6-bromo-3-nitro-1H-quinolin-4-one;tert-butyl N-[5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pent-4-ynyl]carbamate;ethane 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

tert-butyl N-[5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pent-4-ynyl]carbamate
CID 160837205
tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 71472212
2-butyl-1-[(4-nitrophenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 90146175
2-(2,2-dimethylbutanoylamino)ethyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 140918542
tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate
CID 166933579
tert-butyl N-[[4-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]carbamate
CID 164926492
N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[4-(2-oxohex-5-ynylsulfanyl)butylsulfanyl]acetamide
CID 157112375
tert-butyl N-[4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate
CID 86593760
7-N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]quinoline-4,7-diamine;ethane
CID 169185513
3-[2-[2-[2-[[2-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155178443
tert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
CID 22172751
N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]prop-2-ynamide
CID 152913415

Frequently Asked Questions

What is the IUPAC name of 8-(5-aminopentyl)-1-benzyl-2-butylimidazo[4,5-c]quinolin-4-amine;N-benzyl-6-bromo-3-nitroquinolin-4-amine;5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pentan-1-amine;6-bromo-4-chloro-3-nitroquinoline;6-bromo-3-nitro-1H-quinolin-4-one;tert-butyl N-[5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pent-4-ynyl]carbamate;ethane?
The IUPAC name of 8-(5-aminopentyl)-1-benzyl-2-butylimidazo[4,5-c]quinolin-4-amine;N-benzyl-6-bromo-3-nitroquinolin-4-amine;5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pentan-1-amine;6-bromo-4-chloro-3-nitroquinoline;6-bromo-3-nitro-1H-quinolin-4-one;tert-butyl N-[5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pent-4-ynyl]carbamate;ethane (CID 160837201) is 8-(5-aminopentyl)-1-benzyl-2-butylimidazo[4,5-c]quinolin-4-amine;N-benzyl-6-bromo-3-nitroquinolin-4-amine;5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pentan-1-amine;6-bromo-4-chloro-3-nitroquinoline;6-bromo-3-nitro-1H-quinolin-4-one;tert-butyl N-[5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pent-4-ynyl]carbamate;ethane.
What is the SMILES notation for 8-(5-aminopentyl)-1-benzyl-2-butylimidazo[4,5-c]quinolin-4-amine;N-benzyl-6-bromo-3-nitroquinolin-4-amine;5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pentan-1-amine;6-bromo-4-chloro-3-nitroquinoline;6-bromo-3-nitro-1H-quinolin-4-one;tert-butyl N-[5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pent-4-ynyl]carbamate;ethane?
The canonical SMILES for 8-(5-aminopentyl)-1-benzyl-2-butylimidazo[4,5-c]quinolin-4-amine;N-benzyl-6-bromo-3-nitroquinolin-4-amine;5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pentan-1-amine;6-bromo-4-chloro-3-nitroquinoline;6-bromo-3-nitro-1H-quinolin-4-one;tert-butyl N-[5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pent-4-ynyl]carbamate;ethane is CC.CC.CC.CC.CCCCc1nc2c(N)nc3ccc(CCCCCN)cc3c2n1Cc1ccccc1.CCCCc1nc2cnc3ccc(C#CCCCNC(=O)OC(C)(C)C)cc3c2n1Cc1ccccc1.CCCCc1nc2cnc3ccc(CCCCCN)cc3c2n1Cc1ccccc1.O=[N+]([O-])c1cnc2ccc(Br)cc2c1Cl.O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCc1ccccc1.O=c1c([N+](=O)[O-])c[nH]c2ccc(Br)cc12.
What is the InChIKey of 8-(5-aminopentyl)-1-benzyl-2-butylimidazo[4,5-c]quinolin-4-amine;N-benzyl-6-bromo-3-nitroquinolin-4-amine;5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pentan-1-amine;6-bromo-4-chloro-3-nitroquinoline;6-bromo-3-nitro-1H-quinolin-4-one;tert-butyl N-[5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pent-4-ynyl]carbamate;ethane?
The InChIKey is SHODUSZJNGACMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O2.C26H33N5.C26H32N4.C16H12BrN3O2.C9H4BrClN2O2.C9H5BrN2O3.4C2H6/c1-5-6-16-28-34-27-21-33-26-18-17-23(13-11-8-12-19-32-30(36)37-31(2,3)4)20-25(26)29(27)35(28)22-24-14-9-7-10-15-24;1-2-3-13-23-30-24-25(31(23)18-20-11-6-4-7-12-20)21-17-19(10-8-5-9-16-27)14-15-22(21)29-26(24)28;1-2-3-13-25-29-24-18-28-23-15-14-20(10-8-5-9-16-27)17-22(23)26(24)30(25)19-21-11-6-4-7-12-21;17-12-6-7-14-13(8-12)16(15(10-18-14)20(21)22)19-9-11-4-2-1-3-5-11;10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15;10-5-1-2-7-6(3-5)9(13)8(4-11-7)12(14)15;4*1-2/h7,9-10,14-15,17-18,20-21H,5-6,8,12,16,19,22H2,1-4H3,(H,32,36);4,6-7,11-12,14-15,17H,2-3,5,8-10,13,16,18,27H2,1H3,(H2,28,29);4,6-7,11-12,14-15,17-18H,2-3,5,8-10,13,16,19,27H2,1H3;1-8,10H,9H2,(H,18,19);1-4H;1-4H,(H,11,13);4*1-2H3.
What are the key properties of 8-(5-aminopentyl)-1-benzyl-2-butylimidazo[4,5-c]quinolin-4-amine;N-benzyl-6-bromo-3-nitroquinolin-4-amine;5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pentan-1-amine;6-bromo-4-chloro-3-nitroquinoline;6-bromo-3-nitro-1H-quinolin-4-one;tert-butyl N-[5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pent-4-ynyl]carbamate;ethane?
8-(5-aminopentyl)-1-benzyl-2-butylimidazo[4,5-c]quinolin-4-amine;N-benzyl-6-bromo-3-nitroquinolin-4-amine;5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pentan-1-amine;6-bromo-4-chloro-3-nitroquinoline;6-bromo-3-nitro-1H-quinolin-4-one;tert-butyl N-[5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pent-4-ynyl]carbamate;ethane has a molecular weight of 2347.84 g/mol, XLogP of 31.89, 34 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-aminopentyl)-1-benzyl-2-butylimidazo[4,5-c]quinolin-4-amine;N-benzyl-6-bromo-3-nitroquinolin-4-amine;5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pentan-1-amine;6-bromo-4-chloro-3-nitroquinoline;6-bromo-3-nitro-1H-quinolin-4-one;tert-butyl N-[5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pent-4-ynyl]carbamate;ethane is sourced from PubChem (CID 160837201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).