4-N-(2-aminoethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;N-[2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[2-[(2-amino-7-bromoquinolin-4-yl)amino]ethyl]carbamate;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]ethyl]carbamate;2-methyl-1,3-thiazole-4-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C108H138BBr2ClN30O13S2 — CID 167706175

About 4-N-(2-aminoethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;N-[2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[2-[(2-amino-7-bromoquinolin-4-yl)amino]ethyl]carbamate;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]ethyl]carbamate;2-methyl-1,3-thiazole-4-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

4-N-(2-aminoethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;N-[2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[2-[(2-amino-7-bromoquinolin-4-yl)amino]ethyl]carbamate;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]ethyl]carbamate;2-methyl-1,3-thiazole-4-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 167706175) has the molecular formula C108H138BBr2ClN30O13S2 and a molecular weight of 2334.70 g/mol. Its IUPAC name is 4-N-(2-aminoethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;N-[2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[2-[(2-amino-7-bromoquinolin-4-yl)amino]ethyl]carbamate;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]ethyl]carbamate;2-methyl-1,3-thiazole-4-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 4-N-(2-aminoethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;N-[2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[2-[(2-amino-7-bromoquinolin-4-yl)amino]ethyl]carbamate;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]ethyl]carbamate;2-methyl-1,3-thiazole-4-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 167706175
• Molecular Formula: C108H138BBr2ClN30O13S2
• Molecular Weight: 2334.70 g/mol
• Exact Mass: 2330.86
• IUPAC Name: 4-N-(2-aminoethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;N-[2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[2-[(2-amino-7-bromoquinolin-4-yl)amino]ethyl]carbamate;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]ethyl]carbamate;2-methyl-1,3-thiazole-4-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: CC(C)(C)OC(=O)NCCN.CC(C)(C)OC(=O)NCCNc1cc(N)nc2cc(-c3ccnn3C3CCCCO3)ccc12.CC(C)(C)OC(=O)NCCNc1cc(N)nc2cc(Br)ccc12.CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.Cc1nc(C(=O)NCCNc2cc(N)nc3cc(-c4ccn[nH]4)ccc23)cs1.Cc1nc(C(=O)O)cs1.NCCNc1cc(N)nc2cc(-c3ccn[nH]3)ccc12.Nc1cc(Cl)c2ccc(Br)cc2n1
• InChI: InChI=1S/C24H32N6O3.C19H19N7OS.C16H21BrN4O2.C14H23BN2O3.C14H16N6.C9H6BrClN2.C7H16N2O2.C5H5NO2S/c1-24(2,3)33-23(31)27-12-11-26-18-15-21(25)29-19-14-16(7-8-17(18)19)20-9-10-28-30(20)22-6-4-5-13-32-22;1-11-24-17(10-28-11)19(27)22-7-6-21-15-9-18(20)25-16-8-12(2-3-13(15)16)14-4-5-23-26-14;1-16(2,3)23-15(22)20-7-6-19-12-9-14(18)21-13-8-10(17)4-5-11(12)13;1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12;15-4-6-17-12-8-14(16)19-13-7-9(1-2-10(12)13)11-3-5-18-20-11;10-5-1-2-6-7(11)4-9(12)13-8(6)3-5;1-7(2,3)11-6(10)9-5-4-8;1-3-6-4(2-9-3)5(7)8/h7-10,14-15,22H,4-6,11-13H2,1-3H3,(H,27,31)(H3,25,26,29);2-5,8-10H,6-7H2,1H3,(H,22,27)(H,23,26)(H3,20,21,25);4-5,8-9H,6-7H2,1-3H3,(H,20,22)(H3,18,19,21);8-9,12H,5-7,10H2,1-4H3;1-3,5,7-8H,4,6,15H2,(H,18,20)(H3,16,17,19);1-4H,(H2,12,13);4-5,8H2,1-3H3,(H,9,10);2H,1H3,(H,7,8)
• InChIKey: ZDEFLLKDAGSDDF-UHFFFAOYSA-N
• XLogP: 18.96
• TPSA: 631.80 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 38
• Rotatable Bonds: 25
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2334.70
LogP ≤ 5	18.96
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-aminoethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;N-[2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[2-[(2-amino-7-bromoquinolin-4-yl)amino]ethyl]carbamate;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]ethyl]carbamate;2-methyl-1,3-thiazole-4-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of 4-N-(2-aminoethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;N-[2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[2-[(2-amino-7-bromoquinolin-4-yl)amino]ethyl]carbamate;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]ethyl]carbamate;2-methyl-1,3-thiazole-4-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 167706175) is 4-N-(2-aminoethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;N-[2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[2-[(2-amino-7-bromoquinolin-4-yl)amino]ethyl]carbamate;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]ethyl]carbamate;2-methyl-1,3-thiazole-4-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for 4-N-(2-aminoethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;N-[2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[2-[(2-amino-7-bromoquinolin-4-yl)amino]ethyl]carbamate;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]ethyl]carbamate;2-methyl-1,3-thiazole-4-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for 4-N-(2-aminoethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;N-[2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[2-[(2-amino-7-bromoquinolin-4-yl)amino]ethyl]carbamate;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]ethyl]carbamate;2-methyl-1,3-thiazole-4-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CC(C)(C)OC(=O)NCCN.CC(C)(C)OC(=O)NCCNc1cc(N)nc2cc(-c3ccnn3C3CCCCO3)ccc12.CC(C)(C)OC(=O)NCCNc1cc(N)nc2cc(Br)ccc12.CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.Cc1nc(C(=O)NCCNc2cc(N)nc3cc(-c4ccn[nH]4)ccc23)cs1.Cc1nc(C(=O)O)cs1.NCCNc1cc(N)nc2cc(-c3ccn[nH]3)ccc12.Nc1cc(Cl)c2ccc(Br)cc2n1.

What is the InChIKey of 4-N-(2-aminoethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;N-[2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[2-[(2-amino-7-bromoquinolin-4-yl)amino]ethyl]carbamate;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]ethyl]carbamate;2-methyl-1,3-thiazole-4-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is ZDEFLLKDAGSDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3.C19H19N7OS.C16H21BrN4O2.C14H23BN2O3.C14H16N6.C9H6BrClN2.C7H16N2O2.C5H5NO2S/c1-24(2,3)33-23(31)27-12-11-26-18-15-21(25)29-19-14-16(7-8-17(18)19)20-9-10-28-30(20)22-6-4-5-13-32-22;1-11-24-17(10-28-11)19(27)22-7-6-21-15-9-18(20)25-16-8-12(2-3-13(15)16)14-4-5-23-26-14;1-16(2,3)23-15(22)20-7-6-19-12-9-14(18)21-13-8-10(17)4-5-11(12)13;1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12;15-4-6-17-12-8-14(16)19-13-7-9(1-2-10(12)13)11-3-5-18-20-11;10-5-1-2-6-7(11)4-9(12)13-8(6)3-5;1-7(2,3)11-6(10)9-5-4-8;1-3-6-4(2-9-3)5(7)8/h7-10,14-15,22H,4-6,11-13H2,1-3H3,(H,27,31)(H3,25,26,29);2-5,8-10H,6-7H2,1H3,(H,22,27)(H,23,26)(H3,20,21,25);4-5,8-9H,6-7H2,1-3H3,(H,20,22)(H3,18,19,21);8-9,12H,5-7,10H2,1-4H3;1-3,5,7-8H,4,6,15H2,(H,18,20)(H3,16,17,19);1-4H,(H2,12,13);4-5,8H2,1-3H3,(H,9,10);2H,1H3,(H,7,8).

What are the key properties of 4-N-(2-aminoethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;N-[2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[2-[(2-amino-7-bromoquinolin-4-yl)amino]ethyl]carbamate;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]ethyl]carbamate;2-methyl-1,3-thiazole-4-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

4-N-(2-aminoethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;N-[2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[2-[(2-amino-7-bromoquinolin-4-yl)amino]ethyl]carbamate;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]ethyl]carbamate;2-methyl-1,3-thiazole-4-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 2334.70 g/mol, XLogP of 18.96, 25 rotatable bonds, 18 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(2-aminoethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;N-[2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[2-[(2-amino-7-bromoquinolin-4-yl)amino]ethyl]carbamate;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]ethyl]carbamate;2-methyl-1,3-thiazole-4-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 167706175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).