8-hydroxy-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-4a,9a-dihydroanthracene-9,10-dione

C24H29NO7 — CID 23596921

IUPAC8-hydroxy-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-4a,9a-dihydroanthracene-9,10-dione
SMILESO=C1c2cccc(O)c2C(=O)C2C(N3CCOCCOCCOCCOCC3)=CC=CC12
InChIInChI=1S/C24H29NO7/c26-20-6-2-4-18-22(20)24(28)21-17(23(18)27)3-1-5-19(21)25-7-9-29-11-13-31-15-16-32-14-12-30-10-8-25/h1-6,17,21,26H,7-16H2
InChIKeyLMUGETAQGVTJQM-UHFFFAOYSA-N
MW443.50 g/mol
LogP1.84
Rot. Bonds1

About 8-hydroxy-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-4a,9a-dihydroanthracene-9,10-dione

8-hydroxy-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-4a,9a-dihydroanthracene-9,10-dione (PubChem CID 23596921) has the molecular formula C24H29NO7 and a molecular weight of 443.50 g/mol. Its IUPAC name is 8-hydroxy-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-4a,9a-dihydroanthracene-9,10-dione.

Molecular Properties

Compound Name8-hydroxy-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-4a,9a-dihydroanthracene-9,10-dione
PubChem CID23596921
Molecular FormulaC24H29NO7
Molecular Weight443.50 g/mol
Exact Mass443.19
IUPAC Name8-hydroxy-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-4a,9a-dihydroanthracene-9,10-dione
SMILESO=C1c2cccc(O)c2C(=O)C2C(N3CCOCCOCCOCCOCC3)=CC=CC12
InChIInChI=1S/C24H29NO7/c26-20-6-2-4-18-22(20)24(28)21-17(23(18)27)3-1-5-19(21)25-7-9-29-11-13-31-15-16-32-14-12-30-10-8-25/h1-6,17,21,26H,7-16H2
InChIKeyLMUGETAQGVTJQM-UHFFFAOYSA-N
XLogP1.84
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}

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Related Compounds

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CID 67812607
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CID 139635069
5-hydroxysulfanyl-4a,9a-dihydroanthracene-9,10-dione
CID 70881497
3-chloro-5-morpholin-4-ylphenol
CID 130057558
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CID 819622
5-morpholin-4-ylbenzene-1,3-diol
CID 58923367
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
2-fluoro-6-morpholin-4-ylphenol
CID 46737228
3-(2-morpholin-4-ylphenyl)phenol
CID 173316588
2-(4-hydroxymorpholin-3-yl)indene-1,3-dione
CID 53261676
8-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)anthracene-1,9,10-triol
CID 90868964
2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione
CID 18871136

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-4a,9a-dihydroanthracene-9,10-dione?
The IUPAC name of 8-hydroxy-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-4a,9a-dihydroanthracene-9,10-dione (CID 23596921) is 8-hydroxy-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-4a,9a-dihydroanthracene-9,10-dione.
What is the SMILES notation for 8-hydroxy-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-4a,9a-dihydroanthracene-9,10-dione?
The canonical SMILES for 8-hydroxy-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-4a,9a-dihydroanthracene-9,10-dione is O=C1c2cccc(O)c2C(=O)C2C(N3CCOCCOCCOCCOCC3)=CC=CC12.
What is the InChIKey of 8-hydroxy-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-4a,9a-dihydroanthracene-9,10-dione?
The InChIKey is LMUGETAQGVTJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO7/c26-20-6-2-4-18-22(20)24(28)21-17(23(18)27)3-1-5-19(21)25-7-9-29-11-13-31-15-16-32-14-12-30-10-8-25/h1-6,17,21,26H,7-16H2.
What are the key properties of 8-hydroxy-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-4a,9a-dihydroanthracene-9,10-dione?
8-hydroxy-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-4a,9a-dihydroanthracene-9,10-dione has a molecular weight of 443.50 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-4a,9a-dihydroanthracene-9,10-dione is sourced from PubChem (CID 23596921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).