About 5-(1,5-naphthyridin-2-yl)-6-phthalazin-1-yl-3-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline
5-(1,5-naphthyridin-2-yl)-6-phthalazin-1-yl-3-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline (PubChem CID 141198041) has the molecular formula C49H27N11
and a molecular weight of 769.83 g/mol. Its IUPAC name is 5-(1,5-naphthyridin-2-yl)-6-phthalazin-1-yl-3-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline.
Molecular Properties
| Compound Name | 5-(1,5-naphthyridin-2-yl)-6-phthalazin-1-yl-3-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline |
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| PubChem CID | 141198041 |
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| Molecular Formula | C49H27N11 |
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| Molecular Weight | 769.83 g/mol |
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| Exact Mass | 769.25 |
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| IUPAC Name | 5-(1,5-naphthyridin-2-yl)-6-phthalazin-1-yl-3-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline |
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| SMILES | c1ccc2nc(-c3cc4nnc(-c5ncc6ccccc6n5)c(-c5cnc6ccccc6n5)c4c(-c4ccc5ncccc5n4)c3-c3nncc4ccccc34)ccc2c1 |
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| InChI | InChI=1S/C49H27N11/c1-4-13-31-29(11-1)26-53-59-47(31)43-32(35-20-19-28-10-2-5-14-33(28)54-35)24-41-45(44(43)40-22-21-37-39(55-40)18-9-23-50-37)46(42-27-51-36-16-7-8-17-38(36)56-42)48(60-58-41)49-52-25-30-12-3-6-15-34(30)57-49/h1-27H |
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| InChIKey | KIVPKJCVTNGUHP-UHFFFAOYSA-N |
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| XLogP | 10.29 |
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| TPSA | 141.79 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 11 |
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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
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 769.83 |
| LogP ≤ 5 | 10.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
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Frequently Asked Questions
What is the IUPAC name of 5-(1,5-naphthyridin-2-yl)-6-phthalazin-1-yl-3-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline?
The IUPAC name of 5-(1,5-naphthyridin-2-yl)-6-phthalazin-1-yl-3-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline (CID 141198041) is 5-(1,5-naphthyridin-2-yl)-6-phthalazin-1-yl-3-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline.
What is the SMILES notation for 5-(1,5-naphthyridin-2-yl)-6-phthalazin-1-yl-3-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline?
The canonical SMILES for 5-(1,5-naphthyridin-2-yl)-6-phthalazin-1-yl-3-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline is c1ccc2nc(-c3cc4nnc(-c5ncc6ccccc6n5)c(-c5cnc6ccccc6n5)c4c(-c4ccc5ncccc5n4)c3-c3nncc4ccccc34)ccc2c1.
What is the InChIKey of 5-(1,5-naphthyridin-2-yl)-6-phthalazin-1-yl-3-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline?
The InChIKey is KIVPKJCVTNGUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H27N11/c1-4-13-31-29(11-1)26-53-59-47(31)43-32(35-20-19-28-10-2-5-14-33(28)54-35)24-41-45(44(43)40-22-21-37-39(55-40)18-9-23-50-37)46(42-27-51-36-16-7-8-17-38(36)56-42)48(60-58-41)49-52-25-30-12-3-6-15-34(30)57-49/h1-27H.
What are the key properties of 5-(1,5-naphthyridin-2-yl)-6-phthalazin-1-yl-3-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline?
5-(1,5-naphthyridin-2-yl)-6-phthalazin-1-yl-3-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline has a molecular weight of 769.83 g/mol, XLogP of 10.29, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-naphthyridin-2-yl)-6-phthalazin-1-yl-3-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline is sourced from PubChem (CID 141198041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).