4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;methane;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

C104H138N22O2S — CID 161297549

About 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;methane;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-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;methane;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 161297549) has the molecular formula C104H138N22O2S and a molecular weight of 1760.47 g/mol. Its IUPAC name is 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;methane;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-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;methane;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: 161297549
• Molecular Formula: C104H138N22O2S
• Molecular Weight: 1760.47 g/mol
• Exact Mass: 1759.11
• IUPAC Name: 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;methane;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.C=C(C)OCCN(C)c1nc2c(N)nc3ccccc3c2n1CC(C)C.CC(C)CN1C(=O)Cc2c(N)nc3ccccc3c21.CCCN(C)c1nc2c(N)nc3ccccc3c2n1CC(C)C.CCCNc1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c2n1CC(C)C.CCCSc1nc2c(N)nc3ccccc3c2n1CC(C)C
• InChI: InChI=1S/C31H35N5.C20H27N5O.C18H25N5.C17H22N4S.C15H17N3O.3CH4/c1-4-19-32-31-34-28-29(36(31)20-23(2)3)26-17-11-12-18-27(26)33-30(28)35(21-24-13-7-5-8-14-24)22-25-15-9-6-10-16-25;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;;;/h5-18,23H,4,19-22H2,1-3H3,(H,32,34);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);3*1H4
• InChIKey: VHEDTWOJUPODFH-UHFFFAOYSA-N
• XLogP: 23.34
• TPSA: 291.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1760.47
LogP ≤ 5	23.34
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', '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-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;methane;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-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;methane;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 161297549) is 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;methane;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-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;methane;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-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;methane;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.C=C(C)OCCN(C)c1nc2c(N)nc3ccccc3c2n1CC(C)C.CC(C)CN1C(=O)Cc2c(N)nc3ccccc3c21.CCCN(C)c1nc2c(N)nc3ccccc3c2n1CC(C)C.CCCNc1nc2c(N(Cc3ccccc3)Cc3ccccc3)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-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;methane;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 VHEDTWOJUPODFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5.C20H27N5O.C18H25N5.C17H22N4S.C15H17N3O.3CH4/c1-4-19-32-31-34-28-29(36(31)20-23(2)3)26-17-11-12-18-27(26)33-30(28)35(21-24-13-7-5-8-14-24)22-25-15-9-6-10-16-25;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;;;/h5-18,23H,4,19-22H2,1-3H3,(H,32,34);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);3*1H4.

What are the key properties of 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;methane;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-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;methane;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 1760.47 g/mol, XLogP of 23.34, 29 rotatable bonds, 5 hydrogen bond donors, and 24 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-1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine;methane;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 161297549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).