1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate;4-chloro-3-nitroquinoline;deuterium monohydride;1,1,1-triethoxypentane

About 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate;4-chloro-3-nitroquinoline;deuterium monohydride;1,1,1-triethoxypentane

1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate;4-chloro-3-nitroquinoline;deuterium monohydride;1,1,1-triethoxypentane (PubChem CID 165076835) has the molecular formula C70H109ClN14O9 and a molecular weight of 1327.19 g/mol. Its IUPAC name is 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate;4-chloro-3-nitroquinoline;deuterium monohydride;1,1,1-triethoxypentane.

Molecular Properties

Compound Name	1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate;4-chloro-3-nitroquinoline;deuterium monohydride;1,1,1-triethoxypentane
PubChem CID	165076835
Molecular Formula	C70H109ClN14O9
Molecular Weight	1327.19 g/mol
Exact Mass	1325.83
IUPAC Name	1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate;4-chloro-3-nitroquinoline;deuterium monohydride;1,1,1-triethoxypentane
SMILES	CC(C)(C)OC(=O)NCCCCN.CCCCC(OCC)(OCC)OCC.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCN.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)OC(C)(C)C.O=[N+]([O-])c1cnc2ccccc2c1Cl.[H][2H]
InChI	InChI=1S/C23H33N5O2.C18H25N5.C11H24O3.C9H5ClN2O2.C9H20N2O2.H2/c1-5-6-13-18-27-19-20(16-11-7-8-12-17(16)26-21(19)24)28(18)15-10-9-14-25-22(29)30-23(2,3)4;1-2-3-10-15-22-16-17(23(15)12-7-6-11-19)13-8-4-5-9-14(13)21-18(16)20;1-5-9-10-11(12-6-2,13-7-3)14-8-4;10-9-6-3-1-2-4-7(6)11-5-8(9)12(13)14;1-9(2,3)13-8(12)11-7-5-4-6-10;/h7-8,11-12H,5-6,9-10,13-15H2,1-4H3,(H2,24,26)(H,25,29);4-5,8-9H,2-3,6-7,10-12,19H2,1H3,(H2,20,21);5-10H2,1-4H3;1-5H;4-7,10H2,1-3H3,(H,11,12);1H/i;;;;;1+1
InChIKey	ULGLWMMVROYNTR-PUQAOBSFSA-N
XLogP	15.29
TPSA	325.88 Å²
H-Bond Donors	6
H-Bond Acceptors	20
Rotatable Bonds	29
Heavy Atoms	94
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1327.19
LogP ≤ 5	15.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate;4-chloro-3-nitroquinoline;deuterium monohydride;1,1,1-triethoxypentane?

The IUPAC name of 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate;4-chloro-3-nitroquinoline;deuterium monohydride;1,1,1-triethoxypentane (CID 165076835) is 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate;4-chloro-3-nitroquinoline;deuterium monohydride;1,1,1-triethoxypentane.

What is the SMILES notation for 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate;4-chloro-3-nitroquinoline;deuterium monohydride;1,1,1-triethoxypentane?

The canonical SMILES for 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate;4-chloro-3-nitroquinoline;deuterium monohydride;1,1,1-triethoxypentane is CC(C)(C)OC(=O)NCCCCN.CCCCC(OCC)(OCC)OCC.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCN.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)OC(C)(C)C.O=[N+]([O-])c1cnc2ccccc2c1Cl.[H][2H].

What is the InChIKey of 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate;4-chloro-3-nitroquinoline;deuterium monohydride;1,1,1-triethoxypentane?

The InChIKey is ULGLWMMVROYNTR-PUQAOBSFSA-N. The full InChI is InChI=1S/C23H33N5O2.C18H25N5.C11H24O3.C9H5ClN2O2.C9H20N2O2.H2/c1-5-6-13-18-27-19-20(16-11-7-8-12-17(16)26-21(19)24)28(18)15-10-9-14-25-22(29)30-23(2,3)4;1-2-3-10-15-22-16-17(23(15)12-7-6-11-19)13-8-4-5-9-14(13)21-18(16)20;1-5-9-10-11(12-6-2,13-7-3)14-8-4;10-9-6-3-1-2-4-7(6)11-5-8(9)12(13)14;1-9(2,3)13-8(12)11-7-5-4-6-10;/h7-8,11-12H,5-6,9-10,13-15H2,1-4H3,(H2,24,26)(H,25,29);4-5,8-9H,2-3,6-7,10-12,19H2,1H3,(H2,20,21);5-10H2,1-4H3;1-5H;4-7,10H2,1-3H3,(H,11,12);1H/i;;;;;1+1.

What are the key properties of 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate;4-chloro-3-nitroquinoline;deuterium monohydride;1,1,1-triethoxypentane?

Where does this data come from?

All data for 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate;4-chloro-3-nitroquinoline;deuterium monohydride;1,1,1-triethoxypentane is sourced from PubChem (CID 165076835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).