3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine;hydrochloride

C18H21ClN4O3 — CID 54604559

IUPAC3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCC/N=c1\c2ccccc2n(O)c2cccc([N+](=O)[O-])c12.Cl
InChIInChI=1S/C18H20N4O3.ClH/c1-20(2)12-6-11-19-18-13-7-3-4-8-14(13)21(23)15-9-5-10-16(17(15)18)22(24)25;/h3-5,7-10,23H,6,11-12H2,1-2H3;1H/b19-18+;
InChIKeyMPTGDPPHZOIRJF-LTRPLHCISA-N
MW376.84 g/mol
LogP3.21
Rot. Bonds5

About 3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine;hydrochloride

3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 54604559) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is 3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID54604559
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCC/N=c1\c2ccccc2n(O)c2cccc([N+](=O)[O-])c12.Cl
InChIInChI=1S/C18H20N4O3.ClH/c1-20(2)12-6-11-19-18-13-7-3-4-8-14(13)21(23)15-9-5-10-16(17(15)18)22(24)25;/h3-5,7-10,23H,6,11-12H2,1-2H3;1H/b19-18+;
InChIKeyMPTGDPPHZOIRJF-LTRPLHCISA-N
XLogP3.21
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine;hydrochloride 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-[3,5-bis[[4-(dimethylamino)-2-nitrophenyl]methyl]-1-methylpiperidin-4-ylidene]hydroxylamine
CID 155511035
N-[(3E,5E)-3,5-bis[[4-(dimethylamino)-2-nitrophenyl]methylidene]-1-methylpiperidin-4-ylidene]hydroxylamine
CID 155538286
N-[4-(diethylamino)benzylidene]-2-methyl-3-nitroaniline
CID 774544
7-nitro-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline
CID 155344205
Toluene, 2-(4-dimethylaminobenzylidenamino)-4-nitro-
CID 624926
N-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-methyl-3-nitroaniline
CID 693784
10-methyl-9-(1-nitroethyl)-9H-acridine
CID 101582917
3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine
CID 29930
2-Propanamine, N-(10-methyl-9(10H)-acridinylidene)-
CID 147586
N,N-dimethyl-N'-(1-nitroacridin-9-yl)-N'-oxidopropane-1,3-diamine
CID 159883
3-[(10-hydroxyacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine
CID 6712224
1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(3-nitrophenyl)methanimine
CID 50859450

Frequently Asked Questions

What is the IUPAC name of 3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine;hydrochloride (CID 54604559) is 3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine;hydrochloride is CN(C)CCC/N=c1\c2ccccc2n(O)c2cccc([N+](=O)[O-])c12.Cl.
What is the InChIKey of 3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is MPTGDPPHZOIRJF-LTRPLHCISA-N. The full InChI is InChI=1S/C18H20N4O3.ClH/c1-20(2)12-6-11-19-18-13-7-3-4-8-14(13)21(23)15-9-5-10-16(17(15)18)22(24)25;/h3-5,7-10,23H,6,11-12H2,1-2H3;1H/b19-18+;.
What are the key properties of 3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine;hydrochloride?
3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 376.84 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 54604559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).