4-amino-2-butylimidazo[4,5-c]quinoline-1-carboxylic acid;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutan-1-ol;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl formate;S-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate;2-butyl-1-hydroxyimidazo[4,5-c]quinolin-4-amine

C108H136N24O13S — CID 158250615

IUPAC4-amino-2-butylimidazo[4,5-c]quinoline-1-carboxylic acid;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutan-1-ol;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl formate;S-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate;2-butyl-1-hydroxyimidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1C(=O)O.CCCCc1nc2c(N)nc3ccccc3c2n1O.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCO.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCOC(=O)CC.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCOC=O.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCSC(=O)CC
InChIInChI=1S/C21H28N4O3.C21H28N4O2S.C19H24N4O3.C18H24N4O2.C15H16N4O2.C14H16N4O/c1-3-5-12-17-24-19-20(15-10-6-7-11-16(15)23-21(19)22)25(17)28-14-9-8-13-27-18(26)4-2;1-3-5-12-17-24-19-20(15-10-6-7-11-16(15)23-21(19)22)25(17)27-13-8-9-14-28-18(26)4-2;1-2-3-10-16-22-17-18(23(16)26-12-7-6-11-25-13-24)14-8-4-5-9-15(14)21-19(17)20;1-2-3-10-15-21-16-17(22(15)24-12-7-6-11-23)13-8-4-5-9-14(13)20-18(16)19;1-2-3-8-11-18-12-13(19(11)15(20)21)9-6-4-5-7-10(9)17-14(12)16;1-2-3-8-11-17-12-13(18(11)19)9-6-4-5-7-10(9)16-14(12)15/h2*6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H2,22,23);4-5,8-9,13H,2-3,6-7,10-12H2,1H3,(H2,20,21);4-5,8-9,23H,2-3,6-7,10-12H2,1H3,(H2,19,20);4-7H,2-3,8H2,1H3,(H2,16,17)(H,20,21);4-7,19H,2-3,8H2,1H3,(H2,15,16)
InChIKeyGGQZTHHKUDEEFT-UHFFFAOYSA-N
MW2010.50 g/mol
LogP19.44
Rot. Bonds44

About 4-amino-2-butylimidazo[4,5-c]quinoline-1-carboxylic acid;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutan-1-ol;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl formate;S-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate;2-butyl-1-hydroxyimidazo[4,5-c]quinolin-4-amine

4-amino-2-butylimidazo[4,5-c]quinoline-1-carboxylic acid;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutan-1-ol;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl formate;S-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate;2-butyl-1-hydroxyimidazo[4,5-c]quinolin-4-amine (PubChem CID 158250615) has the molecular formula C108H136N24O13S and a molecular weight of 2010.50 g/mol. Its IUPAC name is 4-amino-2-butylimidazo[4,5-c]quinoline-1-carboxylic acid;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutan-1-ol;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl formate;S-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate;2-butyl-1-hydroxyimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name4-amino-2-butylimidazo[4,5-c]quinoline-1-carboxylic acid;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutan-1-ol;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl formate;S-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate;2-butyl-1-hydroxyimidazo[4,5-c]quinolin-4-amine
PubChem CID158250615
Molecular FormulaC108H136N24O13S
Molecular Weight2010.50 g/mol
Exact Mass2009.04
IUPAC Name4-amino-2-butylimidazo[4,5-c]quinoline-1-carboxylic acid;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutan-1-ol;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl formate;S-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate;2-butyl-1-hydroxyimidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1C(=O)O.CCCCc1nc2c(N)nc3ccccc3c2n1O.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCO.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCOC(=O)CC.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCOC=O.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCSC(=O)CC
InChIInChI=1S/C21H28N4O3.C21H28N4O2S.C19H24N4O3.C18H24N4O2.C15H16N4O2.C14H16N4O/c1-3-5-12-17-24-19-20(15-10-6-7-11-16(15)23-21(19)22)25(17)28-14-9-8-13-27-18(26)4-2;1-3-5-12-17-24-19-20(15-10-6-7-11-16(15)23-21(19)22)25(17)27-13-8-9-14-28-18(26)4-2;1-2-3-10-16-22-17-18(23(16)26-12-7-6-11-25-13-24)14-8-4-5-9-15(14)21-19(17)20;1-2-3-10-15-21-16-17(22(15)24-12-7-6-11-23)13-8-4-5-9-14(13)20-18(16)19;1-2-3-8-11-18-12-13(19(11)15(20)21)9-6-4-5-7-10(9)17-14(12)16;1-2-3-8-11-17-12-13(18(11)19)9-6-4-5-7-10(9)16-14(12)15/h2*6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H2,22,23);4-5,8-9,13H,2-3,6-7,10-12H2,1H3,(H2,20,21);4-5,8-9,23H,2-3,6-7,10-12H2,1H3,(H2,19,20);4-7H,2-3,8H2,1H3,(H2,16,17)(H,20,21);4-7,19H,2-3,8H2,1H3,(H2,15,16)
InChIKeyGGQZTHHKUDEEFT-UHFFFAOYSA-N
XLogP19.44
TPSA524.73 Ų
H-Bond Donors9
H-Bond Acceptors37
Rotatable Bonds44
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002010.50
LogP ≤ 519.44
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 4-amino-2-butylimidazo[4,5-c]quinoline-1-carboxylic acid;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutan-1-ol;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl formate;S-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate;2-butyl-1-hydroxyimidazo[4,5-c]quinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-butylimidazo[4,5-c]quinoline-1-carboxylic acid;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutan-1-ol;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl formate;S-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate;2-butyl-1-hydroxyimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 4-amino-2-butylimidazo[4,5-c]quinoline-1-carboxylic acid;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutan-1-ol;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl formate;S-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate;2-butyl-1-hydroxyimidazo[4,5-c]quinolin-4-amine (CID 158250615) is 4-amino-2-butylimidazo[4,5-c]quinoline-1-carboxylic acid;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutan-1-ol;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl formate;S-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate;2-butyl-1-hydroxyimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 4-amino-2-butylimidazo[4,5-c]quinoline-1-carboxylic acid;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutan-1-ol;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl formate;S-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate;2-butyl-1-hydroxyimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 4-amino-2-butylimidazo[4,5-c]quinoline-1-carboxylic acid;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutan-1-ol;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl formate;S-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate;2-butyl-1-hydroxyimidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(N)nc3ccccc3c2n1C(=O)O.CCCCc1nc2c(N)nc3ccccc3c2n1O.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCO.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCOC(=O)CC.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCOC=O.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCSC(=O)CC.
What is the InChIKey of 4-amino-2-butylimidazo[4,5-c]quinoline-1-carboxylic acid;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutan-1-ol;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl formate;S-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate;2-butyl-1-hydroxyimidazo[4,5-c]quinolin-4-amine?
The InChIKey is GGQZTHHKUDEEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3.C21H28N4O2S.C19H24N4O3.C18H24N4O2.C15H16N4O2.C14H16N4O/c1-3-5-12-17-24-19-20(15-10-6-7-11-16(15)23-21(19)22)25(17)28-14-9-8-13-27-18(26)4-2;1-3-5-12-17-24-19-20(15-10-6-7-11-16(15)23-21(19)22)25(17)27-13-8-9-14-28-18(26)4-2;1-2-3-10-16-22-17-18(23(16)26-12-7-6-11-25-13-24)14-8-4-5-9-15(14)21-19(17)20;1-2-3-10-15-21-16-17(22(15)24-12-7-6-11-23)13-8-4-5-9-14(13)20-18(16)19;1-2-3-8-11-18-12-13(19(11)15(20)21)9-6-4-5-7-10(9)17-14(12)16;1-2-3-8-11-17-12-13(18(11)19)9-6-4-5-7-10(9)16-14(12)15/h2*6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H2,22,23);4-5,8-9,13H,2-3,6-7,10-12H2,1H3,(H2,20,21);4-5,8-9,23H,2-3,6-7,10-12H2,1H3,(H2,19,20);4-7H,2-3,8H2,1H3,(H2,16,17)(H,20,21);4-7,19H,2-3,8H2,1H3,(H2,15,16).
What are the key properties of 4-amino-2-butylimidazo[4,5-c]quinoline-1-carboxylic acid;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutan-1-ol;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl formate;S-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate;2-butyl-1-hydroxyimidazo[4,5-c]quinolin-4-amine?
4-amino-2-butylimidazo[4,5-c]quinoline-1-carboxylic acid;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutan-1-ol;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl formate;S-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate;2-butyl-1-hydroxyimidazo[4,5-c]quinolin-4-amine has a molecular weight of 2010.50 g/mol, XLogP of 19.44, 44 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-butylimidazo[4,5-c]quinoline-1-carboxylic acid;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutan-1-ol;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl formate;S-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate;2-butyl-1-hydroxyimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 158250615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).