3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propanoic acid;3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one;7-bromo-4-chloroquinolin-2-amine;tert-butyl 3-[(2-amino-7-bromoquinolin-4-yl)amino]propanoate;tert-butyl 3-aminopropanoate;morpholine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C89H118BBr2ClN20O13 — CID 167611280

About 3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propanoic acid;3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one;7-bromo-4-chloroquinolin-2-amine;tert-butyl 3-[(2-amino-7-bromoquinolin-4-yl)amino]propanoate;tert-butyl 3-aminopropanoate;morpholine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propanoic acid;3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one;7-bromo-4-chloroquinolin-2-amine;tert-butyl 3-[(2-amino-7-bromoquinolin-4-yl)amino]propanoate;tert-butyl 3-aminopropanoate;morpholine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 167611280) has the molecular formula C89H118BBr2ClN20O13 and a molecular weight of 1882.12 g/mol. Its IUPAC name is 3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propanoic acid;3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one;7-bromo-4-chloroquinolin-2-amine;tert-butyl 3-[(2-amino-7-bromoquinolin-4-yl)amino]propanoate;tert-butyl 3-aminopropanoate;morpholine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propanoic acid;3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one;7-bromo-4-chloroquinolin-2-amine;tert-butyl 3-[(2-amino-7-bromoquinolin-4-yl)amino]propanoate;tert-butyl 3-aminopropanoate;morpholine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 167611280
• Molecular Formula: C89H118BBr2ClN20O13
• Molecular Weight: 1882.12 g/mol
• Exact Mass: 1878.73
• IUPAC Name: 3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propanoic acid;3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one;7-bromo-4-chloroquinolin-2-amine;tert-butyl 3-[(2-amino-7-bromoquinolin-4-yl)amino]propanoate;tert-butyl 3-aminopropanoate;morpholine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: C1COCCN1.CC(C)(C)OC(=O)CCN.CC(C)(C)OC(=O)CCNc1cc(N)nc2cc(Br)ccc12.CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.Nc1cc(Cl)c2ccc(Br)cc2n1.Nc1cc(NCCC(=O)N2CCOCC2)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(NCCC(=O)O)c2ccc(-c3ccnn3C3CCCCO3)cc2n1
• InChI: InChI=1S/C20H23N5O3.C19H22N6O2.C16H20BrN3O2.C14H23BN2O3.C9H6BrClN2.C7H15NO2.C4H9NO/c21-18-12-15(22-8-7-20(26)27)14-5-4-13(11-16(14)24-18)17-6-9-23-25(17)19-3-1-2-10-28-19;20-18-12-16(21-5-4-19(26)25-7-9-27-10-8-25)14-2-1-13(11-17(14)23-18)15-3-6-22-24-15;1-16(2,3)22-15(21)6-7-19-12-9-14(18)20-13-8-10(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;10-5-1-2-6-7(11)4-9(12)13-8(6)3-5;1-7(2,3)10-6(9)4-5-8;1-3-6-4-2-5-1/h4-6,9,11-12,19H,1-3,7-8,10H2,(H,26,27)(H3,21,22,24);1-3,6,11-12H,4-5,7-10H2,(H,22,24)(H3,20,21,23);4-5,8-9H,6-7H2,1-3H3,(H3,18,19,20);8-9,12H,5-7,10H2,1-4H3;1-4H,(H2,12,13);4-5,8H2,1-3H3;5H,1-4H2
• InChIKey: LBZMEZXPUMFKMA-UHFFFAOYSA-N
• XLogP: 14.25
• TPSA: 459.69 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1882.12
LogP ≤ 5	14.25
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propanoic acid;3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one;7-bromo-4-chloroquinolin-2-amine;tert-butyl 3-[(2-amino-7-bromoquinolin-4-yl)amino]propanoate;tert-butyl 3-aminopropanoate;morpholine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of 3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propanoic acid;3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one;7-bromo-4-chloroquinolin-2-amine;tert-butyl 3-[(2-amino-7-bromoquinolin-4-yl)amino]propanoate;tert-butyl 3-aminopropanoate;morpholine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 167611280) is 3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propanoic acid;3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one;7-bromo-4-chloroquinolin-2-amine;tert-butyl 3-[(2-amino-7-bromoquinolin-4-yl)amino]propanoate;tert-butyl 3-aminopropanoate;morpholine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for 3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propanoic acid;3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one;7-bromo-4-chloroquinolin-2-amine;tert-butyl 3-[(2-amino-7-bromoquinolin-4-yl)amino]propanoate;tert-butyl 3-aminopropanoate;morpholine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for 3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propanoic acid;3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one;7-bromo-4-chloroquinolin-2-amine;tert-butyl 3-[(2-amino-7-bromoquinolin-4-yl)amino]propanoate;tert-butyl 3-aminopropanoate;morpholine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is C1COCCN1.CC(C)(C)OC(=O)CCN.CC(C)(C)OC(=O)CCNc1cc(N)nc2cc(Br)ccc12.CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.Nc1cc(Cl)c2ccc(Br)cc2n1.Nc1cc(NCCC(=O)N2CCOCC2)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(NCCC(=O)O)c2ccc(-c3ccnn3C3CCCCO3)cc2n1.

What is the InChIKey of 3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propanoic acid;3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one;7-bromo-4-chloroquinolin-2-amine;tert-butyl 3-[(2-amino-7-bromoquinolin-4-yl)amino]propanoate;tert-butyl 3-aminopropanoate;morpholine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is LBZMEZXPUMFKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3.C19H22N6O2.C16H20BrN3O2.C14H23BN2O3.C9H6BrClN2.C7H15NO2.C4H9NO/c21-18-12-15(22-8-7-20(26)27)14-5-4-13(11-16(14)24-18)17-6-9-23-25(17)19-3-1-2-10-28-19;20-18-12-16(21-5-4-19(26)25-7-9-27-10-8-25)14-2-1-13(11-17(14)23-18)15-3-6-22-24-15;1-16(2,3)22-15(21)6-7-19-12-9-14(18)20-13-8-10(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;10-5-1-2-6-7(11)4-9(12)13-8(6)3-5;1-7(2,3)10-6(9)4-5-8;1-3-6-4-2-5-1/h4-6,9,11-12,19H,1-3,7-8,10H2,(H,26,27)(H3,21,22,24);1-3,6,11-12H,4-5,7-10H2,(H,22,24)(H3,20,21,23);4-5,8-9H,6-7H2,1-3H3,(H3,18,19,20);8-9,12H,5-7,10H2,1-4H3;1-4H,(H2,12,13);4-5,8H2,1-3H3;5H,1-4H2.

What are the key properties of 3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propanoic acid;3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one;7-bromo-4-chloroquinolin-2-amine;tert-butyl 3-[(2-amino-7-bromoquinolin-4-yl)amino]propanoate;tert-butyl 3-aminopropanoate;morpholine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propanoic acid;3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one;7-bromo-4-chloroquinolin-2-amine;tert-butyl 3-[(2-amino-7-bromoquinolin-4-yl)amino]propanoate;tert-butyl 3-aminopropanoate;morpholine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 1882.12 g/mol, XLogP of 14.25, 19 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propanoic acid;3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one;7-bromo-4-chloroquinolin-2-amine;tert-butyl 3-[(2-amino-7-bromoquinolin-4-yl)amino]propanoate;tert-butyl 3-aminopropanoate;morpholine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 167611280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).