2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid

C116H86N14O15 — CID 157167666

About 2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid

2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid (PubChem CID 157167666) has the molecular formula C116H86N14O15 and a molecular weight of 1916.05 g/mol. Its IUPAC name is 2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid.

Molecular Properties

• Compound Name: 2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid
• PubChem CID: 157167666
• Molecular Formula: C116H86N14O15
• Molecular Weight: 1916.05 g/mol
• Exact Mass: 1914.64
• IUPAC Name: 2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid
• SMILES: O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2ccnnc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2cncnc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3cccnc3)cc3c2CCc2ccccc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ccnnc3)cc3c2CCc2ccccc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ncccn3)cc3c2CCc2ccccc2-3)ccc1O
• InChI: InChI=1S/C24H18N2O3.4C23H17N3O3/c27-23-10-8-17(12-20(23)24(28)29)26-21-9-7-15-4-1-2-6-18(15)19(21)13-22(26)16-5-3-11-25-14-16;27-21-9-7-15(12-18(21)23(28)29)26-19-8-6-14-4-1-2-5-16(14)17(19)13-20(26)22-24-10-3-11-25-22;27-22-8-6-16(11-19(22)23(28)29)26-20-7-5-14-3-1-2-4-17(14)18(20)12-21(26)15-9-10-24-25-13-15;27-21-9-7-16(10-18(21)23(28)29)26-19-8-6-15-12-24-13-25-22(15)17(19)11-20(26)14-4-2-1-3-5-14;27-21-9-7-16(12-18(21)23(28)29)26-19-8-6-15-10-11-24-25-22(15)17(19)13-20(26)14-4-2-1-3-5-14/h1-6,8,10-14,27H,7,9H2,(H,28,29);1-5,7,9-13,27H,6,8H2,(H,28,29);1-4,6,8-13,27H,5,7H2,(H,28,29);2*1-5,7,9-13,27H,6,8H2,(H,28,29)
• InChIKey: ANCHJCLSPLUDLL-UHFFFAOYSA-N
• XLogP: 21.12
• TPSA: 428.31 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1916.05
LogP ≤ 5	21.12
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid?

The IUPAC name of 2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid (CID 157167666) is 2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid.

What is the SMILES notation for 2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid?

The canonical SMILES for 2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid is O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2ccnnc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2cncnc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3cccnc3)cc3c2CCc2ccccc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ccnnc3)cc3c2CCc2ccccc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ncccn3)cc3c2CCc2ccccc2-3)ccc1O.

What is the InChIKey of 2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid?

The InChIKey is ANCHJCLSPLUDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3.4C23H17N3O3/c27-23-10-8-17(12-20(23)24(28)29)26-21-9-7-15-4-1-2-6-18(15)19(21)13-22(26)16-5-3-11-25-14-16;27-21-9-7-15(12-18(21)23(28)29)26-19-8-6-14-4-1-2-5-16(14)17(19)13-20(26)22-24-10-3-11-25-22;27-22-8-6-16(11-19(22)23(28)29)26-20-7-5-14-3-1-2-4-17(14)18(20)12-21(26)15-9-10-24-25-13-15;27-21-9-7-16(10-18(21)23(28)29)26-19-8-6-15-12-24-13-25-22(15)17(19)11-20(26)14-4-2-1-3-5-14;27-21-9-7-16(12-18(21)23(28)29)26-19-8-6-15-10-11-24-25-22(15)17(19)13-20(26)14-4-2-1-3-5-14/h1-6,8,10-14,27H,7,9H2,(H,28,29);1-5,7,9-13,27H,6,8H2,(H,28,29);1-4,6,8-13,27H,5,7H2,(H,28,29);2*1-5,7,9-13,27H,6,8H2,(H,28,29).

What are the key properties of 2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid?

2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid has a molecular weight of 1916.05 g/mol, XLogP of 21.12, 15 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid is sourced from PubChem (CID 157167666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).