2-(diethylamino)ethyl acridine-9-carboxylate;hydrochloride

C20H23ClN2O2 — CID 138400827

IUPAC2-(diethylamino)ethyl acridine-9-carboxylate;hydrochloride
SMILESCCN(CC)CCOC(=O)c1c2ccccc2nc2ccccc12.Cl
InChIInChI=1S/C20H22N2O2.ClH/c1-3-22(4-2)13-14-24-20(23)19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19;/h5-12H,3-4,13-14H2,1-2H3;1H
InChIKeyQSNSPZSXSIXVLS-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.31
Rot. Bonds6

About 2-(diethylamino)ethyl acridine-9-carboxylate;hydrochloride

2-(diethylamino)ethyl acridine-9-carboxylate;hydrochloride (PubChem CID 138400827) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-(diethylamino)ethyl acridine-9-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl acridine-9-carboxylate;hydrochloride
PubChem CID138400827
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-(diethylamino)ethyl acridine-9-carboxylate;hydrochloride
SMILESCCN(CC)CCOC(=O)c1c2ccccc2nc2ccccc12.Cl
InChIInChI=1S/C20H22N2O2.ClH/c1-3-22(4-2)13-14-24-20(23)19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19;/h5-12H,3-4,13-14H2,1-2H3;1H
InChIKeyQSNSPZSXSIXVLS-UHFFFAOYSA-N
XLogP4.31
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(diethylamino)ethyl 2-(2-oxopropyl)benzoate;hydrochloride
CID 159121513
methyl acridine-9-carboxylate
CID 21211
bis[2-(diethylamino)ethyl] 3-aminobenzene-1,2-dicarboxylate
CID 71441917
N,N-dipropylacridine-9-carboxamide
CID 170440983
2-(dimethylamino)ethyl anthracene-9-carboxylate
CID 71404240
3-[2-(diethylamino)ethoxy]benzo[b]acridine-12-carboxylic acid
CID 22071081
2-(diethylamino)ethyl 4-aminobenzoate;hectahydrochloride
CID 173229201
bis[2-(diethylamino)ethyl] 2,3-diphenylbutanedioate
CID 3060795
2-(diethylamino)ethyl 2-(ethylamino)-6-methylbenzoate;dihydrochloride
CID 13478121
2-(diethylamino)ethyl 4-[(2-naphthalen-1-ylquinoline-4-carbonyl)amino]benzoate
CID 2336394
2-(diethylamino)ethyl 9H-fluorene-9-carboxylate;hydrochloride
CID 11058
2-O-[2-(diethylamino)ethyl] 1-O-hexyl benzene-1,2-dicarboxylate
CID 6421402

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl acridine-9-carboxylate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl acridine-9-carboxylate;hydrochloride (CID 138400827) is 2-(diethylamino)ethyl acridine-9-carboxylate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl acridine-9-carboxylate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl acridine-9-carboxylate;hydrochloride is CCN(CC)CCOC(=O)c1c2ccccc2nc2ccccc12.Cl.
What is the InChIKey of 2-(diethylamino)ethyl acridine-9-carboxylate;hydrochloride?
The InChIKey is QSNSPZSXSIXVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2.ClH/c1-3-22(4-2)13-14-24-20(23)19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19;/h5-12H,3-4,13-14H2,1-2H3;1H.
What are the key properties of 2-(diethylamino)ethyl acridine-9-carboxylate;hydrochloride?
2-(diethylamino)ethyl acridine-9-carboxylate;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl acridine-9-carboxylate;hydrochloride is sourced from PubChem (CID 138400827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).