4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-(2-prop-1-en-2-yloxyethyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-propylsulfanylimidazo[4,5-c]quinolin-4-amine

C135H167N27O2S — CID 162103113

About 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-(2-prop-1-en-2-yloxyethyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-propylsulfanylimidazo[4,5-c]quinolin-4-amine

4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-(2-prop-1-en-2-yloxyethyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-propylsulfanylimidazo[4,5-c]quinolin-4-amine (PubChem CID 162103113) has the molecular formula C135H167N27O2S and a molecular weight of 2232.07 g/mol. Its IUPAC name is 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-(2-prop-1-en-2-yloxyethyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-propylsulfanylimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

• Compound Name: 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-(2-prop-1-en-2-yloxyethyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-propylsulfanylimidazo[4,5-c]quinolin-4-amine
• PubChem CID: 162103113
• Molecular Formula: C135H167N27O2S
• Molecular Weight: 2232.07 g/mol
• Exact Mass: 2230.35
• IUPAC Name: 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-(2-prop-1-en-2-yloxyethyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-propylsulfanylimidazo[4,5-c]quinolin-4-amine
• SMILES: C=C(C)OCCN(C)c1nc2c(N)nc3ccccc3c2n1CC(C)C.CC(C)CN1C(=O)Cc2c(N)nc3ccccc3c21.CCCCN(C)c1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c2n1CC(C)C.CCCCNc1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c2n1CC(C)C.CCCN(C)c1nc2c(N)nc3ccccc3c2n1CC(C)C.CCCSc1nc2c(N)nc3ccccc3c2n1CC(C)C
• InChI: InChI=1S/C33H39N5.C32H37N5.C20H27N5O.C18H25N5.C17H22N4S.C15H17N3O/c1-5-6-21-36(4)33-35-30-31(38(33)22-25(2)3)28-19-13-14-20-29(28)34-32(30)37(23-26-15-9-7-10-16-26)24-27-17-11-8-12-18-27;1-4-5-20-33-32-35-29-30(37(32)21-24(2)3)27-18-12-13-19-28(27)34-31(29)36(22-25-14-8-6-9-15-25)23-26-16-10-7-11-17-26;1-13(2)12-25-18-15-8-6-7-9-16(15)22-19(21)17(18)23-20(25)24(5)10-11-26-14(3)4;1-5-10-22(4)18-21-15-16(23(18)11-12(2)3)13-8-6-7-9-14(13)20-17(15)19;1-4-9-22-17-20-14-15(21(17)10-11(2)3)12-7-5-6-8-13(12)19-16(14)18;1-9(2)8-18-13(19)7-11-14(18)10-5-3-4-6-12(10)17-15(11)16/h7-20,25H,5-6,21-24H2,1-4H3;6-19,24H,4-5,20-23H2,1-3H3,(H,33,35);6-9,13H,3,10-12H2,1-2,4-5H3,(H2,21,22);6-9,12H,5,10-11H2,1-4H3,(H2,19,20);5-8,11H,4,9-10H2,1-3H3,(H2,18,19);3-6,9H,7-8H2,1-2H3,(H2,16,17)
• InChIKey: ZFDNTROJNUZSRL-UHFFFAOYSA-N
• XLogP: 29.51
• TPSA: 328.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 41
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2232.07
LogP ≤ 5	29.51
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-(2-prop-1-en-2-yloxyethyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-propylsulfanylimidazo[4,5-c]quinolin-4-amine?

The IUPAC name of 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-(2-prop-1-en-2-yloxyethyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-propylsulfanylimidazo[4,5-c]quinolin-4-amine (CID 162103113) is 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-(2-prop-1-en-2-yloxyethyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-propylsulfanylimidazo[4,5-c]quinolin-4-amine.

What is the SMILES notation for 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-(2-prop-1-en-2-yloxyethyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-propylsulfanylimidazo[4,5-c]quinolin-4-amine?

The canonical SMILES for 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-(2-prop-1-en-2-yloxyethyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-propylsulfanylimidazo[4,5-c]quinolin-4-amine is C=C(C)OCCN(C)c1nc2c(N)nc3ccccc3c2n1CC(C)C.CC(C)CN1C(=O)Cc2c(N)nc3ccccc3c21.CCCCN(C)c1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c2n1CC(C)C.CCCCNc1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c2n1CC(C)C.CCCN(C)c1nc2c(N)nc3ccccc3c2n1CC(C)C.CCCSc1nc2c(N)nc3ccccc3c2n1CC(C)C.

What is the InChIKey of 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-(2-prop-1-en-2-yloxyethyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-propylsulfanylimidazo[4,5-c]quinolin-4-amine?

The InChIKey is ZFDNTROJNUZSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N5.C32H37N5.C20H27N5O.C18H25N5.C17H22N4S.C15H17N3O/c1-5-6-21-36(4)33-35-30-31(38(33)22-25(2)3)28-19-13-14-20-29(28)34-32(30)37(23-26-15-9-7-10-16-26)24-27-17-11-8-12-18-27;1-4-5-20-33-32-35-29-30(37(32)21-24(2)3)27-18-12-13-19-28(27)34-31(29)36(22-25-14-8-6-9-15-25)23-26-16-10-7-11-17-26;1-13(2)12-25-18-15-8-6-7-9-16(15)22-19(21)17(18)23-20(25)24(5)10-11-26-14(3)4;1-5-10-22(4)18-21-15-16(23(18)11-12(2)3)13-8-6-7-9-14(13)20-17(15)19;1-4-9-22-17-20-14-15(21(17)10-11(2)3)12-7-5-6-8-13(12)19-16(14)18;1-9(2)8-18-13(19)7-11-14(18)10-5-3-4-6-12(10)17-15(11)16/h7-20,25H,5-6,21-24H2,1-4H3;6-19,24H,4-5,20-23H2,1-3H3,(H,33,35);6-9,13H,3,10-12H2,1-2,4-5H3,(H2,21,22);6-9,12H,5,10-11H2,1-4H3,(H2,19,20);5-8,11H,4,9-10H2,1-3H3,(H2,18,19);3-6,9H,7-8H2,1-2H3,(H2,16,17).

What are the key properties of 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-(2-prop-1-en-2-yloxyethyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-propylsulfanylimidazo[4,5-c]quinolin-4-amine?

4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-(2-prop-1-en-2-yloxyethyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-propylsulfanylimidazo[4,5-c]quinolin-4-amine has a molecular weight of 2232.07 g/mol, XLogP of 29.51, 41 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-(2-prop-1-en-2-yloxyethyl)imidazo[4,5-c]quinoline-2,4-diamine;2-N-methyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-propylsulfanylimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 162103113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).