3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane

C132H220N28O12 — CID 160828177

IUPAC3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane
SMILESC.C.C.C.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCN(C)CCCOCCC(=O)NCCCCC(NC)C(C)=O.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNCCCOCCC(=O)NCCCCC(NC)C(C)=O.CCCc1nc2c(N)nc3ccccc3c2n1CCCCN(C)CCCOCCC(=O)NCCCCC(NC)C(C)=O.CCCc1nc2c(N)nc3ccccc3c2n1CCCCNCCCOCCC(=O)NCCCCC(NC)C(C)=O
InChIInChI=1S/C33H53N7O3.2C32H51N7O3.C31H49N7O3.4CH4/c1-5-6-17-29-38-31-32(26-14-7-8-16-28(26)37-33(31)34)40(29)22-12-11-20-39(4)21-13-23-43-24-18-30(42)36-19-10-9-15-27(35-3)25(2)41;1-5-13-28-37-30-31(25-14-6-7-16-27(25)36-32(30)33)39(28)21-11-10-19-38(4)20-12-22-42-23-17-29(41)35-18-9-8-15-26(34-3)24(2)40;1-4-5-16-28-38-30-31(25-13-6-7-15-27(25)37-32(30)33)39(28)21-11-10-18-35-19-12-22-42-23-17-29(41)36-20-9-8-14-26(34-3)24(2)40;1-4-12-27-37-29-30(24-13-5-6-15-26(24)36-31(29)32)38(27)20-10-9-17-34-18-11-21-41-22-16-28(40)35-19-8-7-14-25(33-3)23(2)39;;;;/h7-8,14,16,27,35H,5-6,9-13,15,17-24H2,1-4H3,(H2,34,37)(H,36,42);6-7,14,16,26,34H,5,8-13,15,17-23H2,1-4H3,(H2,33,36)(H,35,41);6-7,13,15,26,34-35H,4-5,8-12,14,16-23H2,1-3H3,(H2,33,37)(H,36,41);5-6,13,15,25,33-34H,4,7-12,14,16-22H2,1-3H3,(H2,32,36)(H,35,40);4*1H4
InChIKeySGLKVELLZKHRRM-UHFFFAOYSA-N
MW2391.40 g/mol
LogP19.01
Rot. Bonds86

About 3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane

3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane (PubChem CID 160828177) has the molecular formula C132H220N28O12 and a molecular weight of 2391.40 g/mol. Its IUPAC name is 3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane.

Molecular Properties

Compound Name3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane
PubChem CID160828177
Molecular FormulaC132H220N28O12
Molecular Weight2391.40 g/mol
Exact Mass2389.75
IUPAC Name3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane
SMILESC.C.C.C.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCN(C)CCCOCCC(=O)NCCCCC(NC)C(C)=O.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNCCCOCCC(=O)NCCCCC(NC)C(C)=O.CCCc1nc2c(N)nc3ccccc3c2n1CCCCN(C)CCCOCCC(=O)NCCCCC(NC)C(C)=O.CCCc1nc2c(N)nc3ccccc3c2n1CCCCNCCCOCCC(=O)NCCCCC(NC)C(C)=O
InChIInChI=1S/C33H53N7O3.2C32H51N7O3.C31H49N7O3.4CH4/c1-5-6-17-29-38-31-32(26-14-7-8-16-28(26)37-33(31)34)40(29)22-12-11-20-39(4)21-13-23-43-24-18-30(42)36-19-10-9-15-27(35-3)25(2)41;1-5-13-28-37-30-31(25-14-6-7-16-27(25)36-32(30)33)39(28)21-11-10-19-38(4)20-12-22-42-23-17-29(41)35-18-9-8-15-26(34-3)24(2)40;1-4-5-16-28-38-30-31(25-13-6-7-15-27(25)37-32(30)33)39(28)21-11-10-18-35-19-12-22-42-23-17-29(41)36-20-9-8-14-26(34-3)24(2)40;1-4-12-27-37-29-30(24-13-5-6-15-26(24)36-31(29)32)38(27)20-10-9-17-34-18-11-21-41-22-16-28(40)35-19-8-7-14-25(33-3)23(2)39;;;;/h7-8,14,16,27,35H,5-6,9-13,15,17-24H2,1-4H3,(H2,34,37)(H,36,42);6-7,14,16,26,34H,5,8-13,15,17-23H2,1-4H3,(H2,33,36)(H,35,41);6-7,13,15,26,34-35H,4-5,8-12,14,16-23H2,1-3H3,(H2,33,37)(H,36,41);5-6,13,15,25,33-34H,4,7-12,14,16-22H2,1-3H3,(H2,32,36)(H,35,40);4*1H4
InChIKeySGLKVELLZKHRRM-UHFFFAOYSA-N
XLogP19.01
TPSA527.18 Ų
H-Bond Donors14
H-Bond Acceptors36
Rotatable Bonds86
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002391.40
LogP ≤ 519.01
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane?
The IUPAC name of 3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane (CID 160828177) is 3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane.
What is the SMILES notation for 3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane?
The canonical SMILES for 3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane is C.C.C.C.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCN(C)CCCOCCC(=O)NCCCCC(NC)C(C)=O.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNCCCOCCC(=O)NCCCCC(NC)C(C)=O.CCCc1nc2c(N)nc3ccccc3c2n1CCCCN(C)CCCOCCC(=O)NCCCCC(NC)C(C)=O.CCCc1nc2c(N)nc3ccccc3c2n1CCCCNCCCOCCC(=O)NCCCCC(NC)C(C)=O.
What is the InChIKey of 3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane?
The InChIKey is SGLKVELLZKHRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H53N7O3.2C32H51N7O3.C31H49N7O3.4CH4/c1-5-6-17-29-38-31-32(26-14-7-8-16-28(26)37-33(31)34)40(29)22-12-11-20-39(4)21-13-23-43-24-18-30(42)36-19-10-9-15-27(35-3)25(2)41;1-5-13-28-37-30-31(25-14-6-7-16-27(25)36-32(30)33)39(28)21-11-10-19-38(4)20-12-22-42-23-17-29(41)35-18-9-8-15-26(34-3)24(2)40;1-4-5-16-28-38-30-31(25-13-6-7-15-27(25)37-32(30)33)39(28)21-11-10-18-35-19-12-22-42-23-17-29(41)36-20-9-8-14-26(34-3)24(2)40;1-4-12-27-37-29-30(24-13-5-6-15-26(24)36-31(29)32)38(27)20-10-9-17-34-18-11-21-41-22-16-28(40)35-19-8-7-14-25(33-3)23(2)39;;;;/h7-8,14,16,27,35H,5-6,9-13,15,17-24H2,1-4H3,(H2,34,37)(H,36,42);6-7,14,16,26,34H,5,8-13,15,17-23H2,1-4H3,(H2,33,36)(H,35,41);6-7,13,15,26,34-35H,4-5,8-12,14,16-23H2,1-3H3,(H2,33,37)(H,36,41);5-6,13,15,25,33-34H,4,7-12,14,16-22H2,1-3H3,(H2,32,36)(H,35,40);4*1H4.
What are the key properties of 3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane?
3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane has a molecular weight of 2391.40 g/mol, XLogP of 19.01, 86 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;3-[3-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane is sourced from PubChem (CID 160828177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).