About [4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone
[4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone (PubChem CID 55901268) has the molecular formula C26H27N3OS
and a molecular weight of 429.59 g/mol. Its IUPAC name is [4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone.
Molecular Properties
| Compound Name | [4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone |
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| PubChem CID | 55901268 |
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| Molecular Formula | C26H27N3OS |
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| Molecular Weight | 429.59 g/mol |
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| Exact Mass | 429.19 |
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| IUPAC Name | [4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone |
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| SMILES | O=C(c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2)N1CCN(CC2CC2)CC1 |
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| InChI | InChI=1S/C26H27N3OS/c30-26(29-13-11-28(12-14-29)17-18-7-8-18)24-21-5-1-2-6-23(21)27-25-19(9-10-22(24)25)16-20-4-3-15-31-20/h1-6,15-16,18H,7-14,17H2/b19-16- |
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| InChIKey | MFKXIWYSVXAQOG-MNDPQUGUSA-N |
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| XLogP | 4.95 |
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| TPSA | 36.44 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 31 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 429.59 |
| LogP ≤ 5 | 4.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone?
The IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone (CID 55901268) is [4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone.
What is the SMILES notation for [4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone?
The canonical SMILES for [4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone is O=C(c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2)N1CCN(CC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone?
The InChIKey is MFKXIWYSVXAQOG-MNDPQUGUSA-N. The full InChI is InChI=1S/C26H27N3OS/c30-26(29-13-11-28(12-14-29)17-18-7-8-18)24-21-5-1-2-6-23(21)27-25-19(9-10-22(24)25)16-20-4-3-15-31-20/h1-6,15-16,18H,7-14,17H2/b19-16-.
What are the key properties of [4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone?
[4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone has a molecular weight of 429.59 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone is sourced from PubChem (CID 55901268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).