About [9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-quinolin-8-ylmethanone
[9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-quinolin-8-ylmethanone (PubChem CID 153374740) has the molecular formula C48H36N4O2
and a molecular weight of 700.84 g/mol. Its IUPAC name is [9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-quinolin-8-ylmethanone.
Molecular Properties
| Compound Name | [9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-quinolin-8-ylmethanone |
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| PubChem CID | 153374740 |
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| Molecular Formula | C48H36N4O2 |
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| Molecular Weight | 700.84 g/mol |
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| Exact Mass | 700.28 |
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| IUPAC Name | [9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-quinolin-8-ylmethanone |
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| SMILES | CCn1c2ccc(C(=O)c3cccc4cccnc34)cc2c2cc(-c3ccc(C(O)c4ccc5c(c4)c4ccccc4n5CC)c4ncccc34)ccc21 |
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| InChI | InChI=1S/C48H36N4O2/c1-3-51-41-15-6-5-12-34(41)38-27-31(17-22-42(38)51)48(54)37-20-19-33(35-14-9-25-50-46(35)37)30-16-21-43-39(26-30)40-28-32(18-23-44(40)52(43)4-2)47(53)36-13-7-10-29-11-8-24-49-45(29)36/h5-28,48,54H,3-4H2,1-2H3 |
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| InChIKey | VYIZFOMOXMQPHH-UHFFFAOYSA-N |
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| XLogP | 11.02 |
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| TPSA | 72.94 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 54 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 700.84 |
| LogP ≤ 5 | 11.02 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of [9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-quinolin-8-ylmethanone?
The IUPAC name of [9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-quinolin-8-ylmethanone (CID 153374740) is [9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-quinolin-8-ylmethanone.
What is the SMILES notation for [9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-quinolin-8-ylmethanone?
The canonical SMILES for [9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-quinolin-8-ylmethanone is CCn1c2ccc(C(=O)c3cccc4cccnc34)cc2c2cc(-c3ccc(C(O)c4ccc5c(c4)c4ccccc4n5CC)c4ncccc34)ccc21.
What is the InChIKey of [9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-quinolin-8-ylmethanone?
The InChIKey is VYIZFOMOXMQPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N4O2/c1-3-51-41-15-6-5-12-34(41)38-27-31(17-22-42(38)51)48(54)37-20-19-33(35-14-9-25-50-46(35)37)30-16-21-43-39(26-30)40-28-32(18-23-44(40)52(43)4-2)47(53)36-13-7-10-29-11-8-24-49-45(29)36/h5-28,48,54H,3-4H2,1-2H3.
What are the key properties of [9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-quinolin-8-ylmethanone?
[9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-quinolin-8-ylmethanone has a molecular weight of 700.84 g/mol, XLogP of 11.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-quinolin-8-ylmethanone is sourced from PubChem (CID 153374740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).