3-[2-(diethylamino)ethoxy]benzo[b]acridine-12-carboxylic acid

C24H24N2O3 — CID 22071081

IUPAC3-[2-(diethylamino)ethoxy]benzo[b]acridine-12-carboxylic acid
SMILESCCN(CC)CCOc1ccc2c(C(=O)O)c3cc4ccccc4cc3nc2c1
InChIInChI=1S/C24H24N2O3/c1-3-26(4-2)11-12-29-18-9-10-19-22(15-18)25-21-14-17-8-6-5-7-16(17)13-20(21)23(19)24(27)28/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,27,28)
InChIKeyTYLGHHXTKALYST-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.96
Rot. Bonds7

About 3-[2-(diethylamino)ethoxy]benzo[b]acridine-12-carboxylic acid

3-[2-(diethylamino)ethoxy]benzo[b]acridine-12-carboxylic acid (PubChem CID 22071081) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethoxy]benzo[b]acridine-12-carboxylic acid.

Molecular Properties

Compound Name3-[2-(diethylamino)ethoxy]benzo[b]acridine-12-carboxylic acid
PubChem CID22071081
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name3-[2-(diethylamino)ethoxy]benzo[b]acridine-12-carboxylic acid
SMILESCCN(CC)CCOc1ccc2c(C(=O)O)c3cc4ccccc4cc3nc2c1
InChIInChI=1S/C24H24N2O3/c1-3-26(4-2)11-12-29-18-9-10-19-22(15-18)25-21-14-17-8-6-5-7-16(17)13-20(21)23(19)24(27)28/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,27,28)
InChIKeyTYLGHHXTKALYST-UHFFFAOYSA-N
XLogP4.96
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-carboxypropoxy)acridine-9-carboxylic acid
CID 15288359
2-[ethyl(2-naphthalen-2-yloxyethyl)amino]acetic acid
CID 61011595
2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;zinc;hydrochloride
CID 88751722
2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;platinum(4+);tetrachloride
CID 173439217
N,N-diethyl-2-(2-phenylquinolin-7-yl)oxyethanamine
CID 154372459
2-(diethylamino)ethyl acridine-9-carboxylate;hydrochloride
CID 138400827
2-[2-naphthalen-2-yloxyethyl(propyl)amino]acetic acid
CID 61007729
1-[2-(diethylamino)ethoxy]isoquinoline-3-carboxylic acid
CID 61102288
4-[2-(diethylamino)ethoxy]-2-ethylbenzoic acid
CID 69431703
2,7-bis[2-(2-methoxyethoxy)ethoxy]acridine-9-carboxylic acid
CID 59283816
(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-ethoxybenzo[b]acridine-12-carboxylate
CID 21459665
N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine
CID 5333118

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethoxy]benzo[b]acridine-12-carboxylic acid?
The IUPAC name of 3-[2-(diethylamino)ethoxy]benzo[b]acridine-12-carboxylic acid (CID 22071081) is 3-[2-(diethylamino)ethoxy]benzo[b]acridine-12-carboxylic acid.
What is the SMILES notation for 3-[2-(diethylamino)ethoxy]benzo[b]acridine-12-carboxylic acid?
The canonical SMILES for 3-[2-(diethylamino)ethoxy]benzo[b]acridine-12-carboxylic acid is CCN(CC)CCOc1ccc2c(C(=O)O)c3cc4ccccc4cc3nc2c1.
What is the InChIKey of 3-[2-(diethylamino)ethoxy]benzo[b]acridine-12-carboxylic acid?
The InChIKey is TYLGHHXTKALYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-3-26(4-2)11-12-29-18-9-10-19-22(15-18)25-21-14-17-8-6-5-7-16(17)13-20(21)23(19)24(27)28/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,27,28).
What are the key properties of 3-[2-(diethylamino)ethoxy]benzo[b]acridine-12-carboxylic acid?
3-[2-(diethylamino)ethoxy]benzo[b]acridine-12-carboxylic acid has a molecular weight of 388.47 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethoxy]benzo[b]acridine-12-carboxylic acid is sourced from PubChem (CID 22071081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).