2-(acridine-4-carbonylamino)ethyl-hydroxy-dimethylazanium;dihydrochloride

C18H22Cl2N3O2+ — CID 21143217

IUPAC2-(acridine-4-carbonylamino)ethyl-hydroxy-dimethylazanium;dihydrochloride
SMILESC[N+](C)(O)CCNC(=O)c1cccc2cc3ccccc3nc12.Cl.Cl
InChIInChI=1S/C18H19N3O2.2ClH/c1-21(2,23)11-10-19-18(22)15-8-5-7-14-12-13-6-3-4-9-16(13)20-17(14)15;;/h3-9,12,23H,10-11H2,1-2H3;2*1H/p+1
InChIKeyHOCJYMGCJQVAKL-UHFFFAOYSA-O
MW383.30 g/mol
LogP3.43
Rot. Bonds4

About 2-(acridine-4-carbonylamino)ethyl-hydroxy-dimethylazanium;dihydrochloride

2-(acridine-4-carbonylamino)ethyl-hydroxy-dimethylazanium;dihydrochloride (PubChem CID 21143217) has the molecular formula C18H22Cl2N3O2+ and a molecular weight of 383.30 g/mol. Its IUPAC name is 2-(acridine-4-carbonylamino)ethyl-hydroxy-dimethylazanium;dihydrochloride.

Molecular Properties

Compound Name2-(acridine-4-carbonylamino)ethyl-hydroxy-dimethylazanium;dihydrochloride
PubChem CID21143217
Molecular FormulaC18H22Cl2N3O2+
Molecular Weight383.30 g/mol
Exact Mass382.11
IUPAC Name2-(acridine-4-carbonylamino)ethyl-hydroxy-dimethylazanium;dihydrochloride
SMILESC[N+](C)(O)CCNC(=O)c1cccc2cc3ccccc3nc12.Cl.Cl
InChIInChI=1S/C18H19N3O2.2ClH/c1-21(2,23)11-10-19-18(22)15-8-5-7-14-12-13-6-3-4-9-16(13)20-17(14)15;;/h3-9,12,23H,10-11H2,1-2H3;2*1H/p+1
InChIKeyHOCJYMGCJQVAKL-UHFFFAOYSA-O
XLogP3.43
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxybutyl)acridine-4-carboxamide
CID 11033729
3-(acridine-4-carbonylamino)propyl-(2-aminoethyl)azanide;cobalt(3+);bis((3-methyl-4-oxoniopent-3-en-2-ylidene)oxidanium)
CID 50912203
N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide
CID 54432311
N-[1-(dimethylamino)ethyl]acridine-4-carboxamide
CID 18688656
N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide
CID 10690459
acridine-4-carboxamide
CID 3025721
8-(chloromethyl)-N-[3-[3-[[8-(chloromethyl)acridine-4-carbonyl]amino]propyl-methylamino]propyl]acridine-4-carboxamide
CID 54093592
N-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide
CID 11792926
N-[2-(diethylamino)ethyl]-1-methylacridine-4-carboxamide
CID 59228677
dimethyl (1S,2R,3S,5R,6S,7R,8S,12R)-10-[2-(acridine-4-carbonylamino)ethyl]-9,11-dioxo-4-oxa-10-azapentacyclo[5.5.1.02,6.03,5.08,12]tridecane-3,5-dicarboxylate
CID 16658406
3-methyl-N-[3-(methylamino)propyl]acridine-4-carboxamide
CID 150282650
N-[2-(diethylamino)ethyl]-3-methylacridine-4-carboxamide
CID 143617146

Frequently Asked Questions

What is the IUPAC name of 2-(acridine-4-carbonylamino)ethyl-hydroxy-dimethylazanium;dihydrochloride?
The IUPAC name of 2-(acridine-4-carbonylamino)ethyl-hydroxy-dimethylazanium;dihydrochloride (CID 21143217) is 2-(acridine-4-carbonylamino)ethyl-hydroxy-dimethylazanium;dihydrochloride.
What is the SMILES notation for 2-(acridine-4-carbonylamino)ethyl-hydroxy-dimethylazanium;dihydrochloride?
The canonical SMILES for 2-(acridine-4-carbonylamino)ethyl-hydroxy-dimethylazanium;dihydrochloride is C[N+](C)(O)CCNC(=O)c1cccc2cc3ccccc3nc12.Cl.Cl.
What is the InChIKey of 2-(acridine-4-carbonylamino)ethyl-hydroxy-dimethylazanium;dihydrochloride?
The InChIKey is HOCJYMGCJQVAKL-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H19N3O2.2ClH/c1-21(2,23)11-10-19-18(22)15-8-5-7-14-12-13-6-3-4-9-16(13)20-17(14)15;;/h3-9,12,23H,10-11H2,1-2H3;2*1H/p+1.
What are the key properties of 2-(acridine-4-carbonylamino)ethyl-hydroxy-dimethylazanium;dihydrochloride?
2-(acridine-4-carbonylamino)ethyl-hydroxy-dimethylazanium;dihydrochloride has a molecular weight of 383.30 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acridine-4-carbonylamino)ethyl-hydroxy-dimethylazanium;dihydrochloride is sourced from PubChem (CID 21143217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).