3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]propan-1-ol;4-bromo-7-(1H-pyrazol-5-yl)quinoline;7-bromo-1H-quinolin-4-one;1-hydroxy-4-(3-phenylmethoxypropyl)-7-pyrazol-3-ylidenequinoline;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinolin-2-amine;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinoline;4-(3-phenylmethoxyprop-1-ynyl)-7-(1H-pyrazol-5-yl)quinoline;prop-2-ynoxymethylbenzene;7-(1H-pyrazol-5-yl)-1H-quinolin-4-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C155H145BBr2N26O11 — CID 167619324

About 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]propan-1-ol;4-bromo-7-(1H-pyrazol-5-yl)quinoline;7-bromo-1H-quinolin-4-one;1-hydroxy-4-(3-phenylmethoxypropyl)-7-pyrazol-3-ylidenequinoline;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinolin-2-amine;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinoline;4-(3-phenylmethoxyprop-1-ynyl)-7-(1H-pyrazol-5-yl)quinoline;prop-2-ynoxymethylbenzene;7-(1H-pyrazol-5-yl)-1H-quinolin-4-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]propan-1-ol;4-bromo-7-(1H-pyrazol-5-yl)quinoline;7-bromo-1H-quinolin-4-one;1-hydroxy-4-(3-phenylmethoxypropyl)-7-pyrazol-3-ylidenequinoline;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinolin-2-amine;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinoline;4-(3-phenylmethoxyprop-1-ynyl)-7-(1H-pyrazol-5-yl)quinoline;prop-2-ynoxymethylbenzene;7-(1H-pyrazol-5-yl)-1H-quinolin-4-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (PubChem CID 167619324) has the molecular formula C155H145BBr2N26O11 and a molecular weight of 2718.66 g/mol. Its IUPAC name is 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]propan-1-ol;4-bromo-7-(1H-pyrazol-5-yl)quinoline;7-bromo-1H-quinolin-4-one;1-hydroxy-4-(3-phenylmethoxypropyl)-7-pyrazol-3-ylidenequinoline;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinolin-2-amine;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinoline;4-(3-phenylmethoxyprop-1-ynyl)-7-(1H-pyrazol-5-yl)quinoline;prop-2-ynoxymethylbenzene;7-(1H-pyrazol-5-yl)-1H-quinolin-4-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Molecular Properties

• Compound Name: 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]propan-1-ol;4-bromo-7-(1H-pyrazol-5-yl)quinoline;7-bromo-1H-quinolin-4-one;1-hydroxy-4-(3-phenylmethoxypropyl)-7-pyrazol-3-ylidenequinoline;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinolin-2-amine;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinoline;4-(3-phenylmethoxyprop-1-ynyl)-7-(1H-pyrazol-5-yl)quinoline;prop-2-ynoxymethylbenzene;7-(1H-pyrazol-5-yl)-1H-quinolin-4-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• PubChem CID: 167619324
• Molecular Formula: C155H145BBr2N26O11
• Molecular Weight: 2718.66 g/mol
• Exact Mass: 2715.00
• IUPAC Name: 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]propan-1-ol;4-bromo-7-(1H-pyrazol-5-yl)quinoline;7-bromo-1H-quinolin-4-one;1-hydroxy-4-(3-phenylmethoxypropyl)-7-pyrazol-3-ylidenequinoline;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinolin-2-amine;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinoline;4-(3-phenylmethoxyprop-1-ynyl)-7-(1H-pyrazol-5-yl)quinoline;prop-2-ynoxymethylbenzene;7-(1H-pyrazol-5-yl)-1H-quinolin-4-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• SMILES: Brc1ccnc2cc(-c3ccn[nH]3)ccc12.C#CCOCc1ccccc1.C(#Cc1ccnc2cc(-c3ccn[nH]3)ccc12)COCc1ccccc1.CC1(C)OB(c2ccn[nH]2)OC1(C)C.Nc1cc(CCCO)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(CCCOCc2ccccc2)c2ccc(-c3ccn[nH]3)cc2n1.O=c1cc[nH]c2cc(-c3ccn[nH]3)ccc12.O=c1cc[nH]c2cc(Br)ccc12.ON1C=CC(CCCOCc2ccccc2)=c2ccc(=C3C=CN=N3)cc21.c1ccc(COCCCc2ccnc3cc(-c4ccn[nH]4)ccc23)cc1
• InChI: InChI=1S/C22H22N4O.C22H21N3O2.C22H21N3O.C22H17N3O.C15H16N4O.C12H8BrN3.C12H9N3O.C10H10O.C9H15BN2O2.C9H6BrNO/c23-22-14-17(7-4-12-27-15-16-5-2-1-3-6-16)19-9-8-18(13-21(19)25-22)20-10-11-24-26-20;26-25-13-11-18(7-4-14-27-16-17-5-2-1-3-6-17)20-9-8-19(15-22(20)25)21-10-12-23-24-21;2*1-2-5-17(6-3-1)16-26-14-4-7-18-10-12-23-22-15-19(8-9-20(18)22)21-11-13-24-25-21;16-15-9-10(2-1-7-20)12-4-3-11(8-14(12)18-15)13-5-6-17-19-13;13-10-3-5-14-12-7-8(1-2-9(10)12)11-4-6-15-16-11;16-12-4-5-13-11-7-8(1-2-9(11)12)10-3-6-14-15-10;1-2-8-11-9-10-6-4-3-5-7-10;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-3,5-6,8-11,13-14H,4,7,12,15H2,(H2,23,25)(H,24,26);1-3,5-6,8-13,15,26H,4,7,14,16H2;1-3,5-6,8-13,15H,4,7,14,16H2,(H,24,25);1-3,5-6,8-13,15H,14,16H2,(H,24,25);3-6,8-9,20H,1-2,7H2,(H2,16,18)(H,17,19);1-7H,(H,15,16);1-7H,(H,13,16)(H,14,15);1,3-7H,8-9H2;5-6H,1-4H3,(H,11,12);1-5H,(H,11,12)
• InChIKey: YLXWSEUBPIHFLA-UHFFFAOYSA-N
• XLogP: 29.24
• TPSA: 516.00 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 28
• Rotatable Bonds: 34
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2718.66
LogP ≤ 5	29.24
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]propan-1-ol;4-bromo-7-(1H-pyrazol-5-yl)quinoline;7-bromo-1H-quinolin-4-one;1-hydroxy-4-(3-phenylmethoxypropyl)-7-pyrazol-3-ylidenequinoline;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinolin-2-amine;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinoline;4-(3-phenylmethoxyprop-1-ynyl)-7-(1H-pyrazol-5-yl)quinoline;prop-2-ynoxymethylbenzene;7-(1H-pyrazol-5-yl)-1H-quinolin-4-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The IUPAC name of 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]propan-1-ol;4-bromo-7-(1H-pyrazol-5-yl)quinoline;7-bromo-1H-quinolin-4-one;1-hydroxy-4-(3-phenylmethoxypropyl)-7-pyrazol-3-ylidenequinoline;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinolin-2-amine;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinoline;4-(3-phenylmethoxyprop-1-ynyl)-7-(1H-pyrazol-5-yl)quinoline;prop-2-ynoxymethylbenzene;7-(1H-pyrazol-5-yl)-1H-quinolin-4-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CID 167619324) is 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]propan-1-ol;4-bromo-7-(1H-pyrazol-5-yl)quinoline;7-bromo-1H-quinolin-4-one;1-hydroxy-4-(3-phenylmethoxypropyl)-7-pyrazol-3-ylidenequinoline;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinolin-2-amine;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinoline;4-(3-phenylmethoxyprop-1-ynyl)-7-(1H-pyrazol-5-yl)quinoline;prop-2-ynoxymethylbenzene;7-(1H-pyrazol-5-yl)-1H-quinolin-4-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

What is the SMILES notation for 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]propan-1-ol;4-bromo-7-(1H-pyrazol-5-yl)quinoline;7-bromo-1H-quinolin-4-one;1-hydroxy-4-(3-phenylmethoxypropyl)-7-pyrazol-3-ylidenequinoline;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinolin-2-amine;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinoline;4-(3-phenylmethoxyprop-1-ynyl)-7-(1H-pyrazol-5-yl)quinoline;prop-2-ynoxymethylbenzene;7-(1H-pyrazol-5-yl)-1H-quinolin-4-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The canonical SMILES for 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]propan-1-ol;4-bromo-7-(1H-pyrazol-5-yl)quinoline;7-bromo-1H-quinolin-4-one;1-hydroxy-4-(3-phenylmethoxypropyl)-7-pyrazol-3-ylidenequinoline;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinolin-2-amine;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinoline;4-(3-phenylmethoxyprop-1-ynyl)-7-(1H-pyrazol-5-yl)quinoline;prop-2-ynoxymethylbenzene;7-(1H-pyrazol-5-yl)-1H-quinolin-4-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is Brc1ccnc2cc(-c3ccn[nH]3)ccc12.C#CCOCc1ccccc1.C(#Cc1ccnc2cc(-c3ccn[nH]3)ccc12)COCc1ccccc1.CC1(C)OB(c2ccn[nH]2)OC1(C)C.Nc1cc(CCCO)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(CCCOCc2ccccc2)c2ccc(-c3ccn[nH]3)cc2n1.O=c1cc[nH]c2cc(-c3ccn[nH]3)ccc12.O=c1cc[nH]c2cc(Br)ccc12.ON1C=CC(CCCOCc2ccccc2)=c2ccc(=C3C=CN=N3)cc21.c1ccc(COCCCc2ccnc3cc(-c4ccn[nH]4)ccc23)cc1.

What is the InChIKey of 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]propan-1-ol;4-bromo-7-(1H-pyrazol-5-yl)quinoline;7-bromo-1H-quinolin-4-one;1-hydroxy-4-(3-phenylmethoxypropyl)-7-pyrazol-3-ylidenequinoline;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinolin-2-amine;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinoline;4-(3-phenylmethoxyprop-1-ynyl)-7-(1H-pyrazol-5-yl)quinoline;prop-2-ynoxymethylbenzene;7-(1H-pyrazol-5-yl)-1H-quinolin-4-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The InChIKey is YLXWSEUBPIHFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O.C22H21N3O2.C22H21N3O.C22H17N3O.C15H16N4O.C12H8BrN3.C12H9N3O.C10H10O.C9H15BN2O2.C9H6BrNO/c23-22-14-17(7-4-12-27-15-16-5-2-1-3-6-16)19-9-8-18(13-21(19)25-22)20-10-11-24-26-20;26-25-13-11-18(7-4-14-27-16-17-5-2-1-3-6-17)20-9-8-19(15-22(20)25)21-10-12-23-24-21;2*1-2-5-17(6-3-1)16-26-14-4-7-18-10-12-23-22-15-19(8-9-20(18)22)21-11-13-24-25-21;16-15-9-10(2-1-7-20)12-4-3-11(8-14(12)18-15)13-5-6-17-19-13;13-10-3-5-14-12-7-8(1-2-9(10)12)11-4-6-15-16-11;16-12-4-5-13-11-7-8(1-2-9(11)12)10-3-6-14-15-10;1-2-8-11-9-10-6-4-3-5-7-10;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-3,5-6,8-11,13-14H,4,7,12,15H2,(H2,23,25)(H,24,26);1-3,5-6,8-13,15,26H,4,7,14,16H2;1-3,5-6,8-13,15H,4,7,14,16H2,(H,24,25);1-3,5-6,8-13,15H,14,16H2,(H,24,25);3-6,8-9,20H,1-2,7H2,(H2,16,18)(H,17,19);1-7H,(H,15,16);1-7H,(H,13,16)(H,14,15);1,3-7H,8-9H2;5-6H,1-4H3,(H,11,12);1-5H,(H,11,12).

What are the key properties of 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]propan-1-ol;4-bromo-7-(1H-pyrazol-5-yl)quinoline;7-bromo-1H-quinolin-4-one;1-hydroxy-4-(3-phenylmethoxypropyl)-7-pyrazol-3-ylidenequinoline;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinolin-2-amine;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinoline;4-(3-phenylmethoxyprop-1-ynyl)-7-(1H-pyrazol-5-yl)quinoline;prop-2-ynoxymethylbenzene;7-(1H-pyrazol-5-yl)-1H-quinolin-4-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]propan-1-ol;4-bromo-7-(1H-pyrazol-5-yl)quinoline;7-bromo-1H-quinolin-4-one;1-hydroxy-4-(3-phenylmethoxypropyl)-7-pyrazol-3-ylidenequinoline;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinolin-2-amine;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinoline;4-(3-phenylmethoxyprop-1-ynyl)-7-(1H-pyrazol-5-yl)quinoline;prop-2-ynoxymethylbenzene;7-(1H-pyrazol-5-yl)-1H-quinolin-4-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has a molecular weight of 2718.66 g/mol, XLogP of 29.24, 34 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]propan-1-ol;4-bromo-7-(1H-pyrazol-5-yl)quinoline;7-bromo-1H-quinolin-4-one;1-hydroxy-4-(3-phenylmethoxypropyl)-7-pyrazol-3-ylidenequinoline;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinolin-2-amine;4-(3-phenylmethoxypropyl)-7-(1H-pyrazol-5-yl)quinoline;4-(3-phenylmethoxyprop-1-ynyl)-7-(1H-pyrazol-5-yl)quinoline;prop-2-ynoxymethylbenzene;7-(1H-pyrazol-5-yl)-1H-quinolin-4-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 167619324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).