8-(3,4-dihydro-2H-quinolin-1-yl)-1-isoquinolin-1-yl-6-naphthalen-1-yl-5-(1H-pyrrol-2-yl)-7-quinolin-2-yl-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)phthalazine

C58H43N7 — CID 141121046

About 8-(3,4-dihydro-2H-quinolin-1-yl)-1-isoquinolin-1-yl-6-naphthalen-1-yl-5-(1H-pyrrol-2-yl)-7-quinolin-2-yl-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)phthalazine

8-(3,4-dihydro-2H-quinolin-1-yl)-1-isoquinolin-1-yl-6-naphthalen-1-yl-5-(1H-pyrrol-2-yl)-7-quinolin-2-yl-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)phthalazine (PubChem CID 141121046) has the molecular formula C58H43N7 and a molecular weight of 838.03 g/mol. Its IUPAC name is 8-(3,4-dihydro-2H-quinolin-1-yl)-1-isoquinolin-1-yl-6-naphthalen-1-yl-5-(1H-pyrrol-2-yl)-7-quinolin-2-yl-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)phthalazine.

Molecular Properties

• Compound Name: 8-(3,4-dihydro-2H-quinolin-1-yl)-1-isoquinolin-1-yl-6-naphthalen-1-yl-5-(1H-pyrrol-2-yl)-7-quinolin-2-yl-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)phthalazine
• PubChem CID: 141121046
• Molecular Formula: C58H43N7
• Molecular Weight: 838.03 g/mol
• Exact Mass: 837.36
• IUPAC Name: 8-(3,4-dihydro-2H-quinolin-1-yl)-1-isoquinolin-1-yl-6-naphthalen-1-yl-5-(1H-pyrrol-2-yl)-7-quinolin-2-yl-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)phthalazine
• SMILES: c1c[nH]c(-c2c(-c3cccc4ccccc34)c(-c3ccc4ccccc4n3)c(N3CCCc4ccccc43)c3c(-c4nccc5ccccc45)nnc(C4NCCc5ccccc54)c23)c1
• InChI: InChI=1S/C58H43N7/c1-6-21-41-36(14-1)19-11-24-44(41)49-50(46-26-12-32-59-46)52-53(58(65-35-13-20-40-18-5-10-27-48(40)65)51(49)47-29-28-39-17-4-9-25-45(39)62-47)57(55-43-23-8-3-16-38(43)31-34-61-55)64-63-56(52)54-42-22-7-2-15-37(42)30-33-60-54/h1-12,14-19,21-29,31-32,34,54,59-60H,13,20,30,33,35H2
• InChIKey: FUEZCSYXNFPTKU-UHFFFAOYSA-N
• XLogP: 13.19
• TPSA: 82.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	838.03
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dihydro-2H-quinolin-1-yl)-1-isoquinolin-1-yl-6-naphthalen-1-yl-5-(1H-pyrrol-2-yl)-7-quinolin-2-yl-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)phthalazine?

The IUPAC name of 8-(3,4-dihydro-2H-quinolin-1-yl)-1-isoquinolin-1-yl-6-naphthalen-1-yl-5-(1H-pyrrol-2-yl)-7-quinolin-2-yl-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)phthalazine (CID 141121046) is 8-(3,4-dihydro-2H-quinolin-1-yl)-1-isoquinolin-1-yl-6-naphthalen-1-yl-5-(1H-pyrrol-2-yl)-7-quinolin-2-yl-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)phthalazine.

What is the SMILES notation for 8-(3,4-dihydro-2H-quinolin-1-yl)-1-isoquinolin-1-yl-6-naphthalen-1-yl-5-(1H-pyrrol-2-yl)-7-quinolin-2-yl-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)phthalazine?

The canonical SMILES for 8-(3,4-dihydro-2H-quinolin-1-yl)-1-isoquinolin-1-yl-6-naphthalen-1-yl-5-(1H-pyrrol-2-yl)-7-quinolin-2-yl-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)phthalazine is c1c[nH]c(-c2c(-c3cccc4ccccc34)c(-c3ccc4ccccc4n3)c(N3CCCc4ccccc43)c3c(-c4nccc5ccccc45)nnc(C4NCCc5ccccc54)c23)c1.

What is the InChIKey of 8-(3,4-dihydro-2H-quinolin-1-yl)-1-isoquinolin-1-yl-6-naphthalen-1-yl-5-(1H-pyrrol-2-yl)-7-quinolin-2-yl-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)phthalazine?

The InChIKey is FUEZCSYXNFPTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43N7/c1-6-21-41-36(14-1)19-11-24-44(41)49-50(46-26-12-32-59-46)52-53(58(65-35-13-20-40-18-5-10-27-48(40)65)51(49)47-29-28-39-17-4-9-25-45(39)62-47)57(55-43-23-8-3-16-38(43)31-34-61-55)64-63-56(52)54-42-22-7-2-15-37(42)30-33-60-54/h1-12,14-19,21-29,31-32,34,54,59-60H,13,20,30,33,35H2.

What are the key properties of 8-(3,4-dihydro-2H-quinolin-1-yl)-1-isoquinolin-1-yl-6-naphthalen-1-yl-5-(1H-pyrrol-2-yl)-7-quinolin-2-yl-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)phthalazine?

8-(3,4-dihydro-2H-quinolin-1-yl)-1-isoquinolin-1-yl-6-naphthalen-1-yl-5-(1H-pyrrol-2-yl)-7-quinolin-2-yl-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)phthalazine has a molecular weight of 838.03 g/mol, XLogP of 13.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3,4-dihydro-2H-quinolin-1-yl)-1-isoquinolin-1-yl-6-naphthalen-1-yl-5-(1H-pyrrol-2-yl)-7-quinolin-2-yl-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)phthalazine is sourced from PubChem (CID 141121046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).