ethyl 6-(2-methoxy-9-oxoacridin-10-yl)hexanoate

C22H25NO4 — CID 66663531

IUPACethyl 6-(2-methoxy-9-oxoacridin-10-yl)hexanoate
SMILESCCOC(=O)CCCCCn1c2ccccc2c(=O)c2cc(OC)ccc21
InChIInChI=1S/C22H25NO4/c1-3-27-21(24)11-5-4-8-14-23-19-10-7-6-9-17(19)22(25)18-15-16(26-2)12-13-20(18)23/h6-7,9-10,12-13,15H,3-5,8,11,14H2,1-2H3
InChIKeyFUZVPRAKKMRBNP-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.29
Rot. Bonds8

About ethyl 6-(2-methoxy-9-oxoacridin-10-yl)hexanoate

ethyl 6-(2-methoxy-9-oxoacridin-10-yl)hexanoate (PubChem CID 66663531) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is ethyl 6-(2-methoxy-9-oxoacridin-10-yl)hexanoate.

Molecular Properties

Compound Nameethyl 6-(2-methoxy-9-oxoacridin-10-yl)hexanoate
PubChem CID66663531
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Nameethyl 6-(2-methoxy-9-oxoacridin-10-yl)hexanoate
SMILESCCOC(=O)CCCCCn1c2ccccc2c(=O)c2cc(OC)ccc21
InChIInChI=1S/C22H25NO4/c1-3-27-21(24)11-5-4-8-14-23-19-10-7-6-9-17(19)22(25)18-15-16(26-2)12-13-20(18)23/h6-7,9-10,12-13,15H,3-5,8,11,14H2,1-2H3
InChIKeyFUZVPRAKKMRBNP-UHFFFAOYSA-N
XLogP4.29
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

6-[5-(5-carboxypentyl)-2,9-dimethoxy-7,14-dioxoquinolino[2,3-b]acridin-12-yl]hexanoic acid
CID 67023990
5-(3-methoxycarbazol-9-yl)pentan-1-ol
CID 153297193
ethyl 4-[3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]butanoate
CID 13180335
9-butyl-3-methoxycarbazole
CID 132503458
N-(2,4-dimethoxyphenyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
CID 22330317
ethyl 6-[1-(4-bromobutyl)-2,4-dioxoquinazolin-3-yl]hexanoate
CID 22449662
3-(3-methoxycarbazol-9-yl)propan-1-amine
CID 153297207
6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid
CID 67024047
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
ethyl 3-(3-aminocarbazol-9-yl)propanoate
CID 12051457
ethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate
CID 19087677
6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid
CID 10194105

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-methoxy-9-oxoacridin-10-yl)hexanoate?
The IUPAC name of ethyl 6-(2-methoxy-9-oxoacridin-10-yl)hexanoate (CID 66663531) is ethyl 6-(2-methoxy-9-oxoacridin-10-yl)hexanoate.
What is the SMILES notation for ethyl 6-(2-methoxy-9-oxoacridin-10-yl)hexanoate?
The canonical SMILES for ethyl 6-(2-methoxy-9-oxoacridin-10-yl)hexanoate is CCOC(=O)CCCCCn1c2ccccc2c(=O)c2cc(OC)ccc21.
What is the InChIKey of ethyl 6-(2-methoxy-9-oxoacridin-10-yl)hexanoate?
The InChIKey is FUZVPRAKKMRBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-3-27-21(24)11-5-4-8-14-23-19-10-7-6-9-17(19)22(25)18-15-16(26-2)12-13-20(18)23/h6-7,9-10,12-13,15H,3-5,8,11,14H2,1-2H3.
What are the key properties of ethyl 6-(2-methoxy-9-oxoacridin-10-yl)hexanoate?
ethyl 6-(2-methoxy-9-oxoacridin-10-yl)hexanoate has a molecular weight of 367.45 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-methoxy-9-oxoacridin-10-yl)hexanoate is sourced from PubChem (CID 66663531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).