actinium;2-[4-(dimethylamino)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]ethanol

C13H19AcN3O3 — CID 23518760

IUPACactinium;2-[4-(dimethylamino)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]ethanol
SMILESCN(C)C1CC(CCO)Nc2ccc([N+](=O)[O-])cc21.[Ac]
InChIInChI=1S/C13H19N3O3.Ac/c1-15(2)13-7-9(5-6-17)14-12-4-3-10(16(18)19)8-11(12)13;/h3-4,8-9,13-14,17H,5-7H2,1-2H3;
InChIKeyUIBGUVPDXNXNGP-UHFFFAOYSA-N
MW492.31 g/mol
LogP1.76
Rot. Bonds4

About actinium;2-[4-(dimethylamino)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]ethanol

actinium;2-[4-(dimethylamino)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]ethanol (PubChem CID 23518760) has the molecular formula C13H19AcN3O3 and a molecular weight of 492.31 g/mol. Its IUPAC name is actinium;2-[4-(dimethylamino)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]ethanol.

Molecular Properties

Compound Nameactinium;2-[4-(dimethylamino)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]ethanol
PubChem CID23518760
Molecular FormulaC13H19AcN3O3
Molecular Weight492.31 g/mol
Exact Mass492.17
IUPAC Nameactinium;2-[4-(dimethylamino)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]ethanol
SMILESCN(C)C1CC(CCO)Nc2ccc([N+](=O)[O-])cc21.[Ac]
InChIInChI=1S/C13H19N3O3.Ac/c1-15(2)13-7-9(5-6-17)14-12-4-3-10(16(18)19)8-11(12)13;/h3-4,8-9,13-14,17H,5-7H2,1-2H3;
InChIKeyUIBGUVPDXNXNGP-UHFFFAOYSA-N
XLogP1.76
TPSA78.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze actinium;2-[4-(dimethylamino)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-amine
CID 54164704
2-(4-ethylsulfonyl-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl)-2-methylpropan-1-ol
CID 23499227
2-[(2S,4S)-4-ethoxy-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]-2-methylpropan-1-ol
CID 57395456
3-[(3aS,9bS)-8-nitro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
CID 135070047
2,8-dinitro-6,12-diphenyl-5,6,11,12-tetrahydrobenzo[c][1,5]benzodiazocine
CID 102254993
4-methyl-6-nitro-1,2,3,4-tetrahydroquinoline
CID 18367059
N-(2-methyl-6-nitro-1,2,3,4-tetrahydroquinolin-4-yl)formamide
CID 3474586
2-(5-nitro-2,3-dihydro-1H-indol-2-yl)propan-1-ol
CID 70828178
2-cyclopropyl-4-nitrophenol
CID 58858109
[2-[4-(dimethylamino)piperidin-1-yl]-5-nitrophenyl]methanol
CID 43586230
2-butyl-6-nitro-2,3-dihydro-1H-indole
CID 151493892
8-nitro-4-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 102393318

Frequently Asked Questions

What is the IUPAC name of actinium;2-[4-(dimethylamino)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]ethanol?
The IUPAC name of actinium;2-[4-(dimethylamino)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]ethanol (CID 23518760) is actinium;2-[4-(dimethylamino)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]ethanol.
What is the SMILES notation for actinium;2-[4-(dimethylamino)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]ethanol?
The canonical SMILES for actinium;2-[4-(dimethylamino)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]ethanol is CN(C)C1CC(CCO)Nc2ccc([N+](=O)[O-])cc21.[Ac].
What is the InChIKey of actinium;2-[4-(dimethylamino)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]ethanol?
The InChIKey is UIBGUVPDXNXNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3.Ac/c1-15(2)13-7-9(5-6-17)14-12-4-3-10(16(18)19)8-11(12)13;/h3-4,8-9,13-14,17H,5-7H2,1-2H3;.
What are the key properties of actinium;2-[4-(dimethylamino)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]ethanol?
actinium;2-[4-(dimethylamino)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]ethanol has a molecular weight of 492.31 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;2-[4-(dimethylamino)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]ethanol is sourced from PubChem (CID 23518760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).