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

C18H20N4O3 — CID 29930

IUPAC3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCC/N=c1\c2ccccc2n(O)c2cccc([N+](=O)[O-])c12
InChIInChI=1S/C18H20N4O3/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/b19-18+
InChIKeyNSGZJBAQTHSOKY-VHEBQXMUSA-N
MW340.38 g/mol
LogP2.79
Rot. Bonds5

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

3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine (PubChem CID 29930) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine
PubChem CID29930
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCC/N=c1\c2ccccc2n(O)c2cccc([N+](=O)[O-])c12
InChIInChI=1S/C18H20N4O3/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/b19-18+
InChIKeyNSGZJBAQTHSOKY-VHEBQXMUSA-N
XLogP2.79
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.79
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'}

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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
Acridine, 10-oxide, dihydrochloride
CID 54604559
N-[4-(diethylamino)benzylidene]-2-methyl-3-nitroaniline
CID 774544
Quinoline, 1-ethyl-1,2,3,4-tetrahydro-2,2,4-trimethyl-7-nitro-
CID 112576
1-Methyl-7-nitro-1,2,3,4-tetrahydroquinoline
CID 11480955
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
T5565370
CID 9249732
10-Methyl-9-(nitromethyl)-9,10-dihydroacridine
CID 24975170
10-methyl-9-(1-nitroethyl)-9H-acridine
CID 101582917

Frequently Asked Questions

What is the IUPAC name of 3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine (CID 29930) is 3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine is CN(C)CCC/N=c1\c2ccccc2n(O)c2cccc([N+](=O)[O-])c12.
What is the InChIKey of 3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine?
The InChIKey is NSGZJBAQTHSOKY-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H20N4O3/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/b19-18+.
What are the key properties of 3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine?
3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine has a molecular weight of 340.38 g/mol, XLogP of 2.79, 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 is sourced from PubChem (CID 29930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).