3,3,5,7-tetramethyl-9-(octylamino)-2,4-dihydroacridin-1-one;hydrochloride

C25H37ClN2O — CID 52993132

IUPAC3,3,5,7-tetramethyl-9-(octylamino)-2,4-dihydroacridin-1-one;hydrochloride
SMILESCCCCCCCCNc1c2c(nc3c(C)cc(C)cc13)CC(C)(C)CC2=O.Cl
InChIInChI=1S/C25H36N2O.ClH/c1-6-7-8-9-10-11-12-26-24-19-14-17(2)13-18(3)23(19)27-20-15-25(4,5)16-21(28)22(20)24;/h13-14H,6-12,15-16H2,1-5H3,(H,26,27);1H
InChIKeyIDSOOYRMKQZFQR-UHFFFAOYSA-N
MW417.04 g/mol
LogP7.20
Rot. Bonds8

About 3,3,5,7-tetramethyl-9-(octylamino)-2,4-dihydroacridin-1-one;hydrochloride

3,3,5,7-tetramethyl-9-(octylamino)-2,4-dihydroacridin-1-one;hydrochloride (PubChem CID 52993132) has the molecular formula C25H37ClN2O and a molecular weight of 417.04 g/mol. Its IUPAC name is 3,3,5,7-tetramethyl-9-(octylamino)-2,4-dihydroacridin-1-one;hydrochloride.

Molecular Properties

Compound Name3,3,5,7-tetramethyl-9-(octylamino)-2,4-dihydroacridin-1-one;hydrochloride
PubChem CID52993132
Molecular FormulaC25H37ClN2O
Molecular Weight417.04 g/mol
Exact Mass416.26
IUPAC Name3,3,5,7-tetramethyl-9-(octylamino)-2,4-dihydroacridin-1-one;hydrochloride
SMILESCCCCCCCCNc1c2c(nc3c(C)cc(C)cc13)CC(C)(C)CC2=O.Cl
InChIInChI=1S/C25H36N2O.ClH/c1-6-7-8-9-10-11-12-26-24-19-14-17(2)13-18(3)23(19)27-20-15-25(4,5)16-21(28)22(20)24;/h13-14H,6-12,15-16H2,1-5H3,(H,26,27);1H
InChIKeyIDSOOYRMKQZFQR-UHFFFAOYSA-N
XLogP7.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.04
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,7-tetramethyl-9-(octylamino)-2,4-dihydroacridin-1-one;hydrochloride?
The IUPAC name of 3,3,5,7-tetramethyl-9-(octylamino)-2,4-dihydroacridin-1-one;hydrochloride (CID 52993132) is 3,3,5,7-tetramethyl-9-(octylamino)-2,4-dihydroacridin-1-one;hydrochloride.
What is the SMILES notation for 3,3,5,7-tetramethyl-9-(octylamino)-2,4-dihydroacridin-1-one;hydrochloride?
The canonical SMILES for 3,3,5,7-tetramethyl-9-(octylamino)-2,4-dihydroacridin-1-one;hydrochloride is CCCCCCCCNc1c2c(nc3c(C)cc(C)cc13)CC(C)(C)CC2=O.Cl.
What is the InChIKey of 3,3,5,7-tetramethyl-9-(octylamino)-2,4-dihydroacridin-1-one;hydrochloride?
The InChIKey is IDSOOYRMKQZFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O.ClH/c1-6-7-8-9-10-11-12-26-24-19-14-17(2)13-18(3)23(19)27-20-15-25(4,5)16-21(28)22(20)24;/h13-14H,6-12,15-16H2,1-5H3,(H,26,27);1H.
What are the key properties of 3,3,5,7-tetramethyl-9-(octylamino)-2,4-dihydroacridin-1-one;hydrochloride?
3,3,5,7-tetramethyl-9-(octylamino)-2,4-dihydroacridin-1-one;hydrochloride has a molecular weight of 417.04 g/mol, XLogP of 7.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,7-tetramethyl-9-(octylamino)-2,4-dihydroacridin-1-one;hydrochloride is sourced from PubChem (CID 52993132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).