About 7-isoquinolin-1-yl-4-(1,8-naphthyridin-2-yl)-5-phthalazin-1-yl-3-quinazolin-2-yl-6-quinolin-2-ylcinnoline
7-isoquinolin-1-yl-4-(1,8-naphthyridin-2-yl)-5-phthalazin-1-yl-3-quinazolin-2-yl-6-quinolin-2-ylcinnoline (PubChem CID 141065932) has the molecular formula C50H28N10
and a molecular weight of 768.84 g/mol. Its IUPAC name is 7-isoquinolin-1-yl-4-(1,8-naphthyridin-2-yl)-5-phthalazin-1-yl-3-quinazolin-2-yl-6-quinolin-2-ylcinnoline.
Molecular Properties
| Compound Name | 7-isoquinolin-1-yl-4-(1,8-naphthyridin-2-yl)-5-phthalazin-1-yl-3-quinazolin-2-yl-6-quinolin-2-ylcinnoline |
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| PubChem CID | 141065932 |
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| Molecular Formula | C50H28N10 |
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| Molecular Weight | 768.84 g/mol |
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| Exact Mass | 768.25 |
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| IUPAC Name | 7-isoquinolin-1-yl-4-(1,8-naphthyridin-2-yl)-5-phthalazin-1-yl-3-quinazolin-2-yl-6-quinolin-2-ylcinnoline |
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| SMILES | c1ccc2nc(-c3c(-c4nccc5ccccc45)cc4nnc(-c5ncc6ccccc6n5)c(-c5ccc6cccnc6n5)c4c3-c3nncc4ccccc34)ccc2c1 |
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| InChI | InChI=1S/C50H28N10/c1-5-15-34-29(10-1)23-25-51-46(34)36-26-41-43(45(47-35-16-6-2-12-32(35)28-54-59-47)42(36)39-21-19-30-11-3-7-17-37(30)55-39)44(40-22-20-31-14-9-24-52-49(31)57-40)48(60-58-41)50-53-27-33-13-4-8-18-38(33)56-50/h1-28H |
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| InChIKey | QUSDFORKZMIDTH-UHFFFAOYSA-N |
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| XLogP | 10.89 |
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| TPSA | 128.90 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 60 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 768.84 |
| LogP ≤ 5 | 10.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
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Frequently Asked Questions
What is the IUPAC name of 7-isoquinolin-1-yl-4-(1,8-naphthyridin-2-yl)-5-phthalazin-1-yl-3-quinazolin-2-yl-6-quinolin-2-ylcinnoline?
The IUPAC name of 7-isoquinolin-1-yl-4-(1,8-naphthyridin-2-yl)-5-phthalazin-1-yl-3-quinazolin-2-yl-6-quinolin-2-ylcinnoline (CID 141065932) is 7-isoquinolin-1-yl-4-(1,8-naphthyridin-2-yl)-5-phthalazin-1-yl-3-quinazolin-2-yl-6-quinolin-2-ylcinnoline.
What is the SMILES notation for 7-isoquinolin-1-yl-4-(1,8-naphthyridin-2-yl)-5-phthalazin-1-yl-3-quinazolin-2-yl-6-quinolin-2-ylcinnoline?
The canonical SMILES for 7-isoquinolin-1-yl-4-(1,8-naphthyridin-2-yl)-5-phthalazin-1-yl-3-quinazolin-2-yl-6-quinolin-2-ylcinnoline is c1ccc2nc(-c3c(-c4nccc5ccccc45)cc4nnc(-c5ncc6ccccc6n5)c(-c5ccc6cccnc6n5)c4c3-c3nncc4ccccc34)ccc2c1.
What is the InChIKey of 7-isoquinolin-1-yl-4-(1,8-naphthyridin-2-yl)-5-phthalazin-1-yl-3-quinazolin-2-yl-6-quinolin-2-ylcinnoline?
The InChIKey is QUSDFORKZMIDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N10/c1-5-15-34-29(10-1)23-25-51-46(34)36-26-41-43(45(47-35-16-6-2-12-32(35)28-54-59-47)42(36)39-21-19-30-11-3-7-17-37(30)55-39)44(40-22-20-31-14-9-24-52-49(31)57-40)48(60-58-41)50-53-27-33-13-4-8-18-38(33)56-50/h1-28H.
What are the key properties of 7-isoquinolin-1-yl-4-(1,8-naphthyridin-2-yl)-5-phthalazin-1-yl-3-quinazolin-2-yl-6-quinolin-2-ylcinnoline?
7-isoquinolin-1-yl-4-(1,8-naphthyridin-2-yl)-5-phthalazin-1-yl-3-quinazolin-2-yl-6-quinolin-2-ylcinnoline has a molecular weight of 768.84 g/mol, XLogP of 10.89, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-isoquinolin-1-yl-4-(1,8-naphthyridin-2-yl)-5-phthalazin-1-yl-3-quinazolin-2-yl-6-quinolin-2-ylcinnoline is sourced from PubChem (CID 141065932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).