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

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

1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate;tert-butyl N-(2-aminoethyl)carbamate;4-chloro-3-nitroquinoline;methane;1,1,1-triethoxypentane;hydrochloride (PubChem CID 165100700) has the molecular formula C68H108Cl2N14O9 and a molecular weight of 1336.61 g/mol. Its IUPAC name is 1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate;tert-butyl N-(2-aminoethyl)carbamate;4-chloro-3-nitroquinoline;methane;1,1,1-triethoxypentane;hydrochloride.

Molecular Properties

Compound Name	1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate;tert-butyl N-(2-aminoethyl)carbamate;4-chloro-3-nitroquinoline;methane;1,1,1-triethoxypentane;hydrochloride
PubChem CID	165100700
Molecular Formula	C68H108Cl2N14O9
Molecular Weight	1336.61 g/mol
Exact Mass	1334.78
IUPAC Name	1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate;tert-butyl N-(2-aminoethyl)carbamate;4-chloro-3-nitroquinoline;methane;1,1,1-triethoxypentane;hydrochloride
SMILES	C.C.CC(C)(C)OC(=O)NCCN.CCCCC(OCC)(OCC)OCC.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)OC(C)(C)C.CCCCc1nc2c(N)nc3ccccc3c2n1CCN.Cl.O=[N+]([O-])c1cnc2ccccc2c1Cl
InChI	InChI=1S/C23H33N5O2.C16H21N5.C11H24O3.C9H5ClN2O2.C7H16N2O2.2CH4.ClH/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;1-2-3-8-13-20-14-15(21(13)10-9-17)11-6-4-5-7-12(11)19-16(14)18;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;1-7(2,3)11-6(10)9-5-4-8;;;/h7-8,11-12H,5-6,9-10,13-15H2,1-4H3,(H2,24,26)(H,25,29);4-7H,2-3,8-10,17H2,1H3,(H2,18,19);5-10H2,1-4H3;1-5H;4-5,8H2,1-3H3,(H,9,10);2*1H4;1H
InChIKey	ZZAUHOVFDOCASK-UHFFFAOYSA-N
XLogP	15.18
TPSA	325.88 Å²
H-Bond Donors	6
H-Bond Acceptors	20
Rotatable Bonds	25
Heavy Atoms	93
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1336.61
LogP ≤ 5	15.18
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-(2-aminoethyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate;tert-butyl N-(2-aminoethyl)carbamate;4-chloro-3-nitroquinoline;methane;1,1,1-triethoxypentane;hydrochloride?

The IUPAC name of 1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate;tert-butyl N-(2-aminoethyl)carbamate;4-chloro-3-nitroquinoline;methane;1,1,1-triethoxypentane;hydrochloride (CID 165100700) is 1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate;tert-butyl N-(2-aminoethyl)carbamate;4-chloro-3-nitroquinoline;methane;1,1,1-triethoxypentane;hydrochloride.

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

The canonical SMILES for 1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate;tert-butyl N-(2-aminoethyl)carbamate;4-chloro-3-nitroquinoline;methane;1,1,1-triethoxypentane;hydrochloride is C.C.CC(C)(C)OC(=O)NCCN.CCCCC(OCC)(OCC)OCC.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)OC(C)(C)C.CCCCc1nc2c(N)nc3ccccc3c2n1CCN.Cl.O=[N+]([O-])c1cnc2ccccc2c1Cl.

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

The InChIKey is ZZAUHOVFDOCASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2.C16H21N5.C11H24O3.C9H5ClN2O2.C7H16N2O2.2CH4.ClH/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;1-2-3-8-13-20-14-15(21(13)10-9-17)11-6-4-5-7-12(11)19-16(14)18;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;1-7(2,3)11-6(10)9-5-4-8;;;/h7-8,11-12H,5-6,9-10,13-15H2,1-4H3,(H2,24,26)(H,25,29);4-7H,2-3,8-10,17H2,1H3,(H2,18,19);5-10H2,1-4H3;1-5H;4-5,8H2,1-3H3,(H,9,10);2*1H4;1H.

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

Where does this data come from?

All data for 1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate;tert-butyl N-(2-aminoethyl)carbamate;4-chloro-3-nitroquinoline;methane;1,1,1-triethoxypentane;hydrochloride is sourced from PubChem (CID 165100700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).