2,7-bis[2-(2-methoxyethoxy)ethoxy]acridine-9-carboxylic acid

C24H29NO8 — CID 59283816

IUPAC2,7-bis[2-(2-methoxyethoxy)ethoxy]acridine-9-carboxylic acid
SMILESCOCCOCCOc1ccc2nc3ccc(OCCOCCOC)cc3c(C(=O)O)c2c1
InChIInChI=1S/C24H29NO8/c1-28-7-9-30-11-13-32-17-3-5-21-19(15-17)23(24(26)27)20-16-18(4-6-22(20)25-21)33-14-12-31-10-8-29-2/h3-6,15-16H,7-14H2,1-2H3,(H,26,27)
InChIKeyCSJSCLRLNUFJFC-UHFFFAOYSA-N
MW459.50 g/mol
LogP3.17
Rot. Bonds15

About 2,7-bis[2-(2-methoxyethoxy)ethoxy]acridine-9-carboxylic acid

2,7-bis[2-(2-methoxyethoxy)ethoxy]acridine-9-carboxylic acid (PubChem CID 59283816) has the molecular formula C24H29NO8 and a molecular weight of 459.50 g/mol. Its IUPAC name is 2,7-bis[2-(2-methoxyethoxy)ethoxy]acridine-9-carboxylic acid.

Molecular Properties

Compound Name2,7-bis[2-(2-methoxyethoxy)ethoxy]acridine-9-carboxylic acid
PubChem CID59283816
Molecular FormulaC24H29NO8
Molecular Weight459.50 g/mol
Exact Mass459.19
IUPAC Name2,7-bis[2-(2-methoxyethoxy)ethoxy]acridine-9-carboxylic acid
SMILESCOCCOCCOc1ccc2nc3ccc(OCCOCCOC)cc3c(C(=O)O)c2c1
InChIInChI=1S/C24H29NO8/c1-28-7-9-30-11-13-32-17-3-5-21-19(15-17)23(24(26)27)20-16-18(4-6-22(20)25-21)33-14-12-31-10-8-29-2/h3-6,15-16H,7-14H2,1-2H3,(H,26,27)
InChIKeyCSJSCLRLNUFJFC-UHFFFAOYSA-N
XLogP3.17
TPSA105.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]naphthalen-2-yl]ethynyl]pyridine-2,6-dicarboxylic acid
CID 102029205
3-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 63073270
2-(chloromethyl)-6-(2-methoxyethoxy)-3H-quinazolin-4-one
CID 156870415
4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid
CID 103175922
2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate
CID 143968517
5-[2-(2-methoxyethoxy)ethoxy]-2-nitrobenzoic acid
CID 104560470
3-[2-(diethylamino)ethoxy]benzo[b]acridine-12-carboxylic acid
CID 22071081
2-amino-5-(2-methoxyethoxy)benzoic acid
CID 12719199
2-hydroxy-6-(8-methoxyoctoxy)naphthalene-1-carboxylic acid
CID 57045000
3-(3-carboxypropoxy)acridine-9-carboxylic acid
CID 15288359
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[2-(2-methoxyethoxy)ethoxy]acridine-9-carboxylic acid?
The IUPAC name of 2,7-bis[2-(2-methoxyethoxy)ethoxy]acridine-9-carboxylic acid (CID 59283816) is 2,7-bis[2-(2-methoxyethoxy)ethoxy]acridine-9-carboxylic acid.
What is the SMILES notation for 2,7-bis[2-(2-methoxyethoxy)ethoxy]acridine-9-carboxylic acid?
The canonical SMILES for 2,7-bis[2-(2-methoxyethoxy)ethoxy]acridine-9-carboxylic acid is COCCOCCOc1ccc2nc3ccc(OCCOCCOC)cc3c(C(=O)O)c2c1.
What is the InChIKey of 2,7-bis[2-(2-methoxyethoxy)ethoxy]acridine-9-carboxylic acid?
The InChIKey is CSJSCLRLNUFJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO8/c1-28-7-9-30-11-13-32-17-3-5-21-19(15-17)23(24(26)27)20-16-18(4-6-22(20)25-21)33-14-12-31-10-8-29-2/h3-6,15-16H,7-14H2,1-2H3,(H,26,27).
What are the key properties of 2,7-bis[2-(2-methoxyethoxy)ethoxy]acridine-9-carboxylic acid?
2,7-bis[2-(2-methoxyethoxy)ethoxy]acridine-9-carboxylic acid has a molecular weight of 459.50 g/mol, XLogP of 3.17, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[2-(2-methoxyethoxy)ethoxy]acridine-9-carboxylic acid is sourced from PubChem (CID 59283816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).