N-(morpholin-2-ylmethyl)-8-nitroisoquinolin-5-amine

C14H16N4O3 — CID 115324182

IUPACN-(morpholin-2-ylmethyl)-8-nitroisoquinolin-5-amine
SMILESO=[N+]([O-])c1ccc(NCC2CNCCO2)c2ccncc12
InChIInChI=1S/C14H16N4O3/c19-18(20)14-2-1-13(11-3-4-15-9-12(11)14)17-8-10-7-16-5-6-21-10/h1-4,9-10,16-17H,5-8H2
InChIKeyFVUJEAZWVMZFBJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.54
Rot. Bonds4

About N-(morpholin-2-ylmethyl)-8-nitroisoquinolin-5-amine

N-(morpholin-2-ylmethyl)-8-nitroisoquinolin-5-amine (PubChem CID 115324182) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(morpholin-2-ylmethyl)-8-nitroisoquinolin-5-amine.

Molecular Properties

Compound NameN-(morpholin-2-ylmethyl)-8-nitroisoquinolin-5-amine
PubChem CID115324182
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-(morpholin-2-ylmethyl)-8-nitroisoquinolin-5-amine
SMILESO=[N+]([O-])c1ccc(NCC2CNCCO2)c2ccncc12
InChIInChI=1S/C14H16N4O3/c19-18(20)14-2-1-13(11-3-4-15-9-12(11)14)17-8-10-7-16-5-6-21-10/h1-4,9-10,16-17H,5-8H2
InChIKeyFVUJEAZWVMZFBJ-UHFFFAOYSA-N
XLogP1.54
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(morpholin-2-ylmethyl)-8-nitroisoquinolin-5-amine 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

5-nitro-N-(pyrrolidin-3-ylmethyl)isoquinolin-8-amine
CID 103142263
5-nitro-N-(piperidin-3-ylmethyl)isoquinolin-8-amine
CID 103142047
N-[[(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-8-nitroisoquinolin-5-amine
CID 98846267
8-nitro-N-[2-(oxolan-2-ylmethoxy)ethyl]isoquinolin-5-amine
CID 133314972
3-(morpholin-2-ylmethylamino)-4-nitrobenzamide
CID 82995436
N-(morpholin-2-ylmethyl)-5-nitro-2-(trifluoromethyl)pyridin-4-amine
CID 106749975
6-(morpholin-2-ylmethylamino)-3-nitropyridine-2-carbonitrile
CID 103472615
N-(1,4-dithian-2-ylmethyl)-8-nitroisoquinolin-5-amine
CID 115685336
N-(morpholin-2-ylmethyl)-6-nitropyridin-3-amine
CID 115324252
4,5-dimethoxy-N-(morpholin-2-ylmethyl)-2-nitroaniline
CID 83004079
4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
CID 115324081
8-nitro-N-(3,3,3-trifluoropropyl)isoquinolin-5-amine
CID 63227223

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-2-ylmethyl)-8-nitroisoquinolin-5-amine?
The IUPAC name of N-(morpholin-2-ylmethyl)-8-nitroisoquinolin-5-amine (CID 115324182) is N-(morpholin-2-ylmethyl)-8-nitroisoquinolin-5-amine.
What is the SMILES notation for N-(morpholin-2-ylmethyl)-8-nitroisoquinolin-5-amine?
The canonical SMILES for N-(morpholin-2-ylmethyl)-8-nitroisoquinolin-5-amine is O=[N+]([O-])c1ccc(NCC2CNCCO2)c2ccncc12.
What is the InChIKey of N-(morpholin-2-ylmethyl)-8-nitroisoquinolin-5-amine?
The InChIKey is FVUJEAZWVMZFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c19-18(20)14-2-1-13(11-3-4-15-9-12(11)14)17-8-10-7-16-5-6-21-10/h1-4,9-10,16-17H,5-8H2.
What are the key properties of N-(morpholin-2-ylmethyl)-8-nitroisoquinolin-5-amine?
N-(morpholin-2-ylmethyl)-8-nitroisoquinolin-5-amine has a molecular weight of 288.31 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-2-ylmethyl)-8-nitroisoquinolin-5-amine is sourced from PubChem (CID 115324182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).