2-[10-(3-aminopropyl)-9-methoxyimino-5,6-dimethylacridin-1-yl]acetic acid

C21H25N3O3 — CID 59906557

IUPAC2-[10-(3-aminopropyl)-9-methoxyimino-5,6-dimethylacridin-1-yl]acetic acid
SMILESCON=c1c2ccc(C)c(C)c2n(CCCN)c2cccc(CC(=O)O)c12
InChIInChI=1S/C21H25N3O3/c1-13-8-9-16-20(23-27-3)19-15(12-18(25)26)6-4-7-17(19)24(11-5-10-22)21(16)14(13)2/h4,6-9H,5,10-12,22H2,1-3H3,(H,25,26)
InChIKeyJSORWGPVYBLIFX-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.85
Rot. Bonds6

About 2-[10-(3-aminopropyl)-9-methoxyimino-5,6-dimethylacridin-1-yl]acetic acid

2-[10-(3-aminopropyl)-9-methoxyimino-5,6-dimethylacridin-1-yl]acetic acid (PubChem CID 59906557) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[10-(3-aminopropyl)-9-methoxyimino-5,6-dimethylacridin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[10-(3-aminopropyl)-9-methoxyimino-5,6-dimethylacridin-1-yl]acetic acid
PubChem CID59906557
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-[10-(3-aminopropyl)-9-methoxyimino-5,6-dimethylacridin-1-yl]acetic acid
SMILESCON=c1c2ccc(C)c(C)c2n(CCCN)c2cccc(CC(=O)O)c12
InChIInChI=1S/C21H25N3O3/c1-13-8-9-16-20(23-27-3)19-15(12-18(25)26)6-4-7-17(19)24(11-5-10-22)21(16)14(13)2/h4,6-9H,5,10-12,22H2,1-3H3,(H,25,26)
InChIKeyJSORWGPVYBLIFX-UHFFFAOYSA-N
XLogP2.85
TPSA89.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[10-(3-aminopropyl)-9-methoxyimino-5,6-dimethylacridin-1-yl]acetic acid?
The IUPAC name of 2-[10-(3-aminopropyl)-9-methoxyimino-5,6-dimethylacridin-1-yl]acetic acid (CID 59906557) is 2-[10-(3-aminopropyl)-9-methoxyimino-5,6-dimethylacridin-1-yl]acetic acid.
What is the SMILES notation for 2-[10-(3-aminopropyl)-9-methoxyimino-5,6-dimethylacridin-1-yl]acetic acid?
The canonical SMILES for 2-[10-(3-aminopropyl)-9-methoxyimino-5,6-dimethylacridin-1-yl]acetic acid is CON=c1c2ccc(C)c(C)c2n(CCCN)c2cccc(CC(=O)O)c12.
What is the InChIKey of 2-[10-(3-aminopropyl)-9-methoxyimino-5,6-dimethylacridin-1-yl]acetic acid?
The InChIKey is JSORWGPVYBLIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-13-8-9-16-20(23-27-3)19-15(12-18(25)26)6-4-7-17(19)24(11-5-10-22)21(16)14(13)2/h4,6-9H,5,10-12,22H2,1-3H3,(H,25,26).
What are the key properties of 2-[10-(3-aminopropyl)-9-methoxyimino-5,6-dimethylacridin-1-yl]acetic acid?
2-[10-(3-aminopropyl)-9-methoxyimino-5,6-dimethylacridin-1-yl]acetic acid has a molecular weight of 367.45 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(3-aminopropyl)-9-methoxyimino-5,6-dimethylacridin-1-yl]acetic acid is sourced from PubChem (CID 59906557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).