2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]phthalazin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]quinoxalin-7-yl)benzoic acid;4-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-2-carboxylic acid

C115H85N15O14 — CID 158778328

About 2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]phthalazin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]quinoxalin-7-yl)benzoic acid;4-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-2-carboxylic acid

2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]phthalazin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]quinoxalin-7-yl)benzoic acid;4-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-2-carboxylic acid (PubChem CID 158778328) has the molecular formula C115H85N15O14 and a molecular weight of 1901.04 g/mol. Its IUPAC name is 2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]phthalazin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]quinoxalin-7-yl)benzoic acid;4-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]phthalazin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]quinoxalin-7-yl)benzoic acid;4-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-2-carboxylic acid
• PubChem CID: 158778328
• Molecular Formula: C115H85N15O14
• Molecular Weight: 1901.04 g/mol
• Exact Mass: 1899.64
• IUPAC Name: 2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]phthalazin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]quinoxalin-7-yl)benzoic acid;4-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-2-carboxylic acid
• SMILES: O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2cnncc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2nccnc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2ncncc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2nnccc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ccccn3)cc3c2CCc2ccccc2-3)ccn1
• InChI: InChI=1S/4C23H17N3O3.C23H17N3O2/c27-22-9-6-15(10-17(22)23(28)29)26-20-8-7-19-18(12-24-13-25-19)16(20)11-21(26)14-4-2-1-3-5-14;27-21-9-6-15(12-17(21)23(28)29)26-19-8-7-18-22(25-11-10-24-18)16(19)13-20(26)14-4-2-1-3-5-14;27-22-9-6-15(12-18(22)23(28)29)26-20-8-7-19-16(10-11-24-25-19)17(20)13-21(26)14-4-2-1-3-5-14;27-22-9-7-16(10-18(22)23(28)29)26-20-8-6-15-12-24-25-13-19(15)17(20)11-21(26)14-4-2-1-3-5-14;27-23(28)20-13-16(10-12-25-20)26-21-9-8-15-5-1-2-6-17(15)18(21)14-22(26)19-7-3-4-11-24-19/h3*1-6,9-13,27H,7-8H2,(H,28,29);1-5,7,9-13,27H,6,8H2,(H,28,29);1-7,10-14H,8-9H2,(H,27,28)
• InChIKey: IQTHZNWWYFOUHK-UHFFFAOYSA-N
• XLogP: 20.81
• TPSA: 420.97 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1901.04
LogP ≤ 5	20.81
H-Bond Donors ≤ 5	9
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[3,2-f]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]phthalazin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]quinoxalin-7-yl)benzoic acid;4-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-2-carboxylic acid?

The IUPAC name of 2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]phthalazin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]quinoxalin-7-yl)benzoic acid;4-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-2-carboxylic acid (CID 158778328) is 2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]phthalazin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]quinoxalin-7-yl)benzoic acid;4-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-2-carboxylic acid.

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

The canonical SMILES for 2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]phthalazin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]quinoxalin-7-yl)benzoic acid;4-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-2-carboxylic acid is O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2cnncc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2nccnc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2ncncc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2nnccc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ccccn3)cc3c2CCc2ccccc2-3)ccn1.

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

The InChIKey is IQTHZNWWYFOUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C23H17N3O3.C23H17N3O2/c27-22-9-6-15(10-17(22)23(28)29)26-20-8-7-19-18(12-24-13-25-19)16(20)11-21(26)14-4-2-1-3-5-14;27-21-9-6-15(12-17(21)23(28)29)26-19-8-7-18-22(25-11-10-24-18)16(19)13-20(26)14-4-2-1-3-5-14;27-22-9-6-15(12-18(22)23(28)29)26-20-8-7-19-16(10-11-24-25-19)17(20)13-21(26)14-4-2-1-3-5-14;27-22-9-7-16(10-18(22)23(28)29)26-20-8-6-15-12-24-25-13-19(15)17(20)11-21(26)14-4-2-1-3-5-14;27-23(28)20-13-16(10-12-25-20)26-21-9-8-15-5-1-2-6-17(15)18(21)14-22(26)19-7-3-4-11-24-19/h3*1-6,9-13,27H,7-8H2,(H,28,29);1-5,7,9-13,27H,6,8H2,(H,28,29);1-7,10-14H,8-9H2,(H,27,28).

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

2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]phthalazin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]quinoxalin-7-yl)benzoic acid;4-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-2-carboxylic acid has a molecular weight of 1901.04 g/mol, XLogP of 20.81, 15 rotatable bonds, 9 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[3,2-f]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]phthalazin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[3,2-f]quinoxalin-7-yl)benzoic acid;4-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 158778328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).