1-decyl-10-hexyl-3,10a-dihydroacridin-2-one

C29H43NO — CID 87327069

IUPAC1-decyl-10-hexyl-3,10a-dihydroacridin-2-one
SMILESCCCCCCCCCCC1=C2C=C3C=CC=CC3N(CCCCCC)C2=CCC1=O
InChIInChI=1S/C29H43NO/c1-3-5-7-9-10-11-12-13-18-25-26-23-24-17-14-15-19-27(24)30(22-16-8-6-4-2)28(26)20-21-29(25)31/h14-15,17,19-20,23,27H,3-13,16,18,21-22H2,1-2H3
InChIKeyKHTKSKMZLGGHCM-UHFFFAOYSA-N
MW421.67 g/mol
LogP7.99
Rot. Bonds14

About 1-decyl-10-hexyl-3,10a-dihydroacridin-2-one

1-decyl-10-hexyl-3,10a-dihydroacridin-2-one (PubChem CID 87327069) has the molecular formula C29H43NO and a molecular weight of 421.67 g/mol. Its IUPAC name is 1-decyl-10-hexyl-3,10a-dihydroacridin-2-one.

Molecular Properties

Compound Name1-decyl-10-hexyl-3,10a-dihydroacridin-2-one
PubChem CID87327069
Molecular FormulaC29H43NO
Molecular Weight421.67 g/mol
Exact Mass421.33
IUPAC Name1-decyl-10-hexyl-3,10a-dihydroacridin-2-one
SMILESCCCCCCCCCCC1=C2C=C3C=CC=CC3N(CCCCCC)C2=CCC1=O
InChIInChI=1S/C29H43NO/c1-3-5-7-9-10-11-12-13-18-25-26-23-24-17-14-15-19-27(24)30(22-16-8-6-4-2)28(26)20-21-29(25)31/h14-15,17,19-20,23,27H,3-13,16,18,21-22H2,1-2H3
InChIKeyKHTKSKMZLGGHCM-UHFFFAOYSA-N
XLogP7.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.67
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 22245841
10-Ethyl-1-hexyl-3,10a-dihydroacridin-2-one
CID 87327008
4-methyl-2-[(3E)-penta-1,3-dien-3-yl]-5,6,7,8-tetrahydroisoquinolin-1-one
CID 118426595
10'-Cyclohexa-2,4-dien-1-ylspiro[1,2,3,4,5,6,7,8-octahydroanthracene-10,9'-1,2,3,4,5,6-hexahydroacridine]-9-one
CID 121420343
4-Methyl-2-penta-1,3-dien-3-yl-5,6,7,8-tetrahydroisoquinolin-1-one
CID 124031422
3-Methyl-2-octyl-4-oxo-8,8a-dihydroquinoline-1-carbonitrile
CID 135128743
2,3,5-Trimethyl-6-[3-[(2-methylcyclohexa-1,5-dien-1-yl)-prop-1-en-2-ylamino]propyl]cyclohexa-2,5-diene-1,4-dione
CID 137507092
1-(2-methyl-3,4,5,6-tetrahydro-1H-isoquinolin-3-yl)ethanone
CID 143089438
2-(cyclohexylmethyl)-5-ethyl-7-ethylidene-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-4,5-dihydroquinoline-6,8-dione
CID 143231881
1-Ethyl-6-methyl-5,7,8,10-tetrahydrobenzo[g]quinolin-4-one
CID 143516420
(5Z,6Z)-6-butan-2-ylidene-5-[(E)-2-[cyclohexa-1,3-dien-1-yl(ethyl)amino]but-2-enylidene]-2-ethenyl-3-phosphanylcyclohex-2-en-1-one
CID 145266666
1-methyl-2-[(Z)-tridec-7-enyl]-6,7-dihydroquinolin-4-one
CID 155108095

Frequently Asked Questions

What is the IUPAC name of 1-decyl-10-hexyl-3,10a-dihydroacridin-2-one?
The IUPAC name of 1-decyl-10-hexyl-3,10a-dihydroacridin-2-one (CID 87327069) is 1-decyl-10-hexyl-3,10a-dihydroacridin-2-one.
What is the SMILES notation for 1-decyl-10-hexyl-3,10a-dihydroacridin-2-one?
The canonical SMILES for 1-decyl-10-hexyl-3,10a-dihydroacridin-2-one is CCCCCCCCCCC1=C2C=C3C=CC=CC3N(CCCCCC)C2=CCC1=O.
What is the InChIKey of 1-decyl-10-hexyl-3,10a-dihydroacridin-2-one?
The InChIKey is KHTKSKMZLGGHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43NO/c1-3-5-7-9-10-11-12-13-18-25-26-23-24-17-14-15-19-27(24)30(22-16-8-6-4-2)28(26)20-21-29(25)31/h14-15,17,19-20,23,27H,3-13,16,18,21-22H2,1-2H3.
What are the key properties of 1-decyl-10-hexyl-3,10a-dihydroacridin-2-one?
1-decyl-10-hexyl-3,10a-dihydroacridin-2-one has a molecular weight of 421.67 g/mol, XLogP of 7.99, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-10-hexyl-3,10a-dihydroacridin-2-one is sourced from PubChem (CID 87327069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).