sodium;4-amino-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;tris(4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one);2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine;ethyl carbonochloridate;ethyl N-[2-(dibenzylamino)-4-(2-methylpropylamino)quinolin-3-yl]carbamate;methanolate;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride

C161H173Cl2F6N24NaO14S2 — CID 160695891

IUPACsodium;4-amino-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;tris(4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one);2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine;ethyl carbonochloridate;ethyl N-[2-(dibenzylamino)-4-(2-methylpropylamino)quinolin-3-yl]carbamate;methanolate;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride
SMILESCC(C)CNc1c(N)c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccc12.CC(C)Cn1c(=O)[nH]c2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c21.CC(C)Cn1c(=O)[nH]c2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c21.CC(C)Cn1c(=O)[nH]c2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c21.CC(C)Cn1c(=O)[nH]c2c(N)nc3ccccc3c21.CCOC(=O)Cl.CCOC(=O)Nc1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccc2c1NCC(C)C.C[O-].Cl.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F.[Na+]
InChIInChI=1S/C30H34N4O2.3C28H28N4O.C27H30N4.C14H16N4O.C3H5ClO2.C2F6O5S2.CH3O.ClH.Na/c1-4-36-30(35)33-28-27(31-19-22(2)3)25-17-11-12-18-26(25)32-29(28)34(20-23-13-7-5-8-14-23)21-24-15-9-6-10-16-24;3*1-20(2)17-32-26-23-15-9-10-16-24(23)29-27(25(26)30-28(32)33)31(18-21-11-5-3-6-12-21)19-22-13-7-4-8-14-22;1-20(2)17-29-26-23-15-9-10-16-24(23)30-27(25(26)28)31(18-21-11-5-3-6-12-21)19-22-13-7-4-8-14-22;1-8(2)7-18-12-9-5-3-4-6-10(9)16-13(15)11(12)17-14(18)19;1-2-6-3(4)5;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8;1-2;;/h5-18,22H,4,19-21H2,1-3H3,(H,31,32)(H,33,35);3*3-16,20H,17-19H2,1-2H3,(H,30,33);3-16,20H,17-19,28H2,1-2H3,(H,29,30);3-6,8H,7H2,1-2H3,(H2,15,16)(H,17,19);2H2,1H3;;1H3;1H;/q;;;;;;;;-1;;+1
InChIKeyWWXDBMGYJMJYDD-UHFFFAOYSA-N
MW2940.33 g/mol
LogP30.99
Rot. Bonds44

About sodium;4-amino-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;tris(4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one);2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine;ethyl carbonochloridate;ethyl N-[2-(dibenzylamino)-4-(2-methylpropylamino)quinolin-3-yl]carbamate;methanolate;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride

sodium;4-amino-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;tris(4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one);2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine;ethyl carbonochloridate;ethyl N-[2-(dibenzylamino)-4-(2-methylpropylamino)quinolin-3-yl]carbamate;methanolate;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride (PubChem CID 160695891) has the molecular formula C161H173Cl2F6N24NaO14S2 and a molecular weight of 2940.33 g/mol. Its IUPAC name is sodium;4-amino-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;tris(4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one);2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine;ethyl carbonochloridate;ethyl N-[2-(dibenzylamino)-4-(2-methylpropylamino)quinolin-3-yl]carbamate;methanolate;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride.

Molecular Properties

Compound Namesodium;4-amino-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;tris(4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one);2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine;ethyl carbonochloridate;ethyl N-[2-(dibenzylamino)-4-(2-methylpropylamino)quinolin-3-yl]carbamate;methanolate;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride
PubChem CID160695891
Molecular FormulaC161H173Cl2F6N24NaO14S2
Molecular Weight2940.33 g/mol
Exact Mass2937.22
IUPAC Namesodium;4-amino-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;tris(4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one);2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine;ethyl carbonochloridate;ethyl N-[2-(dibenzylamino)-4-(2-methylpropylamino)quinolin-3-yl]carbamate;methanolate;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride
SMILESCC(C)CNc1c(N)c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccc12.CC(C)Cn1c(=O)[nH]c2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c21.CC(C)Cn1c(=O)[nH]c2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c21.CC(C)Cn1c(=O)[nH]c2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c21.CC(C)Cn1c(=O)[nH]c2c(N)nc3ccccc3c21.CCOC(=O)Cl.CCOC(=O)Nc1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccc2c1NCC(C)C.C[O-].Cl.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F.[Na+]
InChIInChI=1S/C30H34N4O2.3C28H28N4O.C27H30N4.C14H16N4O.C3H5ClO2.C2F6O5S2.CH3O.ClH.Na/c1-4-36-30(35)33-28-27(31-19-22(2)3)25-17-11-12-18-26(25)32-29(28)34(20-23-13-7-5-8-14-23)21-24-15-9-6-10-16-24;3*1-20(2)17-32-26-23-15-9-10-16-24(23)29-27(25(26)30-28(32)33)31(18-21-11-5-3-6-12-21)19-22-13-7-4-8-14-22;1-20(2)17-29-26-23-15-9-10-16-24(23)30-27(25(26)28)31(18-21-11-5-3-6-12-21)19-22-13-7-4-8-14-22;1-8(2)7-18-12-9-5-3-4-6-10(9)16-13(15)11(12)17-14(18)19;1-2-6-3(4)5;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8;1-2;;/h5-18,22H,4,19-21H2,1-3H3,(H,31,32)(H,33,35);3*3-16,20H,17-19H2,1-2H3,(H,30,33);3-16,20H,17-19,28H2,1-2H3,(H,29,30);3-6,8H,7H2,1-2H3,(H2,15,16)(H,17,19);2H2,1H3;;1H3;1H;/q;;;;;;;;-1;;+1
InChIKeyWWXDBMGYJMJYDD-UHFFFAOYSA-N
XLogP30.99
TPSA486.00 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds44
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002940.33
LogP ≤ 530.99
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze sodium;4-amino-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;tris(4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one);2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine;ethyl carbonochloridate;ethyl N-[2-(dibenzylamino)-4-(2-methylpropylamino)quinolin-3-yl]carbamate;methanolate;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;4-amino-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;tris(4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one);2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine;ethyl carbonochloridate;ethyl N-[2-(dibenzylamino)-4-(2-methylpropylamino)quinolin-3-yl]carbamate;methanolate;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride?
The IUPAC name of sodium;4-amino-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;tris(4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one);2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine;ethyl carbonochloridate;ethyl N-[2-(dibenzylamino)-4-(2-methylpropylamino)quinolin-3-yl]carbamate;methanolate;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride (CID 160695891) is sodium;4-amino-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;tris(4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one);2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine;ethyl carbonochloridate;ethyl N-[2-(dibenzylamino)-4-(2-methylpropylamino)quinolin-3-yl]carbamate;methanolate;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride.
What is the SMILES notation for sodium;4-amino-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;tris(4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one);2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine;ethyl carbonochloridate;ethyl N-[2-(dibenzylamino)-4-(2-methylpropylamino)quinolin-3-yl]carbamate;methanolate;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride?
The canonical SMILES for sodium;4-amino-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;tris(4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one);2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine;ethyl carbonochloridate;ethyl N-[2-(dibenzylamino)-4-(2-methylpropylamino)quinolin-3-yl]carbamate;methanolate;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride is CC(C)CNc1c(N)c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccc12.CC(C)Cn1c(=O)[nH]c2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c21.CC(C)Cn1c(=O)[nH]c2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c21.CC(C)Cn1c(=O)[nH]c2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c21.CC(C)Cn1c(=O)[nH]c2c(N)nc3ccccc3c21.CCOC(=O)Cl.CCOC(=O)Nc1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccc2c1NCC(C)C.C[O-].Cl.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F.[Na+].
What is the InChIKey of sodium;4-amino-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;tris(4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one);2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine;ethyl carbonochloridate;ethyl N-[2-(dibenzylamino)-4-(2-methylpropylamino)quinolin-3-yl]carbamate;methanolate;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride?
The InChIKey is WWXDBMGYJMJYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2.3C28H28N4O.C27H30N4.C14H16N4O.C3H5ClO2.C2F6O5S2.CH3O.ClH.Na/c1-4-36-30(35)33-28-27(31-19-22(2)3)25-17-11-12-18-26(25)32-29(28)34(20-23-13-7-5-8-14-23)21-24-15-9-6-10-16-24;3*1-20(2)17-32-26-23-15-9-10-16-24(23)29-27(25(26)30-28(32)33)31(18-21-11-5-3-6-12-21)19-22-13-7-4-8-14-22;1-20(2)17-29-26-23-15-9-10-16-24(23)30-27(25(26)28)31(18-21-11-5-3-6-12-21)19-22-13-7-4-8-14-22;1-8(2)7-18-12-9-5-3-4-6-10(9)16-13(15)11(12)17-14(18)19;1-2-6-3(4)5;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8;1-2;;/h5-18,22H,4,19-21H2,1-3H3,(H,31,32)(H,33,35);3*3-16,20H,17-19H2,1-2H3,(H,30,33);3-16,20H,17-19,28H2,1-2H3,(H,29,30);3-6,8H,7H2,1-2H3,(H2,15,16)(H,17,19);2H2,1H3;;1H3;1H;/q;;;;;;;;-1;;+1.
What are the key properties of sodium;4-amino-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;tris(4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one);2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine;ethyl carbonochloridate;ethyl N-[2-(dibenzylamino)-4-(2-methylpropylamino)quinolin-3-yl]carbamate;methanolate;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride?
sodium;4-amino-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;tris(4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one);2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine;ethyl carbonochloridate;ethyl N-[2-(dibenzylamino)-4-(2-methylpropylamino)quinolin-3-yl]carbamate;methanolate;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride has a molecular weight of 2940.33 g/mol, XLogP of 30.99, 44 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-amino-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;tris(4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one);2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine;ethyl carbonochloridate;ethyl N-[2-(dibenzylamino)-4-(2-methylpropylamino)quinolin-3-yl]carbamate;methanolate;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride is sourced from PubChem (CID 160695891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).