2-(5-nitroisoquinolin-8-yl)oxycyclopentan-1-amine

C14H15N3O3 — CID 103142904

IUPAC2-(5-nitroisoquinolin-8-yl)oxycyclopentan-1-amine
SMILESNC1CCCC1Oc1ccc([N+](=O)[O-])c2ccncc12
InChIInChI=1S/C14H15N3O3/c15-11-2-1-3-14(11)20-13-5-4-12(17(18)19)9-6-7-16-8-10(9)13/h4-8,11,14H,1-3,15H2
InChIKeyHBZBLVJKDHFAHZ-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.40
Rot. Bonds3

About 2-(5-nitroisoquinolin-8-yl)oxycyclopentan-1-amine

2-(5-nitroisoquinolin-8-yl)oxycyclopentan-1-amine (PubChem CID 103142904) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(5-nitroisoquinolin-8-yl)oxycyclopentan-1-amine.

Molecular Properties

Compound Name2-(5-nitroisoquinolin-8-yl)oxycyclopentan-1-amine
PubChem CID103142904
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-(5-nitroisoquinolin-8-yl)oxycyclopentan-1-amine
SMILESNC1CCCC1Oc1ccc([N+](=O)[O-])c2ccncc12
InChIInChI=1S/C14H15N3O3/c15-11-2-1-3-14(11)20-13-5-4-12(17(18)19)9-6-7-16-8-10(9)13/h4-8,11,14H,1-3,15H2
InChIKeyHBZBLVJKDHFAHZ-UHFFFAOYSA-N
XLogP2.40
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
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'}

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Related Compounds

8-(azetidin-3-yloxy)-5-nitroisoquinoline
CID 103142857
2-(4-nitronaphthalen-1-yl)oxycyclopentan-1-ol
CID 63690282
2-N-(8-nitroisoquinolin-5-yl)cyclohexane-1,2-diamine
CID 61038249
4-(4-nitronaphthalen-1-yl)oxycyclohexan-1-amine
CID 63691542
8-chloro-5-nitroisoquinoline
CID 53420876
2-(8-nitroisoquinolin-5-yl)oxypropan-1-amine
CID 82580497
5-nitroisoquinoline-8-sulfonamide
CID 103142769
methyl 2-[(5-nitroisoquinolin-8-yl)amino]propanoate
CID 103141316
8-nitroisoquinoline-5-carbaldehyde
CID 165144248
1-(5-nitroisoquinolin-8-yl)pyrrolidine-3-carboxylic acid
CID 103140345
N-(3-methylcyclopentyl)-5-nitroisoquinolin-8-amine
CID 103141963
1-(5-nitroisoquinolin-8-yl)ethanol
CID 167328366

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitroisoquinolin-8-yl)oxycyclopentan-1-amine?
The IUPAC name of 2-(5-nitroisoquinolin-8-yl)oxycyclopentan-1-amine (CID 103142904) is 2-(5-nitroisoquinolin-8-yl)oxycyclopentan-1-amine.
What is the SMILES notation for 2-(5-nitroisoquinolin-8-yl)oxycyclopentan-1-amine?
The canonical SMILES for 2-(5-nitroisoquinolin-8-yl)oxycyclopentan-1-amine is NC1CCCC1Oc1ccc([N+](=O)[O-])c2ccncc12.
What is the InChIKey of 2-(5-nitroisoquinolin-8-yl)oxycyclopentan-1-amine?
The InChIKey is HBZBLVJKDHFAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c15-11-2-1-3-14(11)20-13-5-4-12(17(18)19)9-6-7-16-8-10(9)13/h4-8,11,14H,1-3,15H2.
What are the key properties of 2-(5-nitroisoquinolin-8-yl)oxycyclopentan-1-amine?
2-(5-nitroisoquinolin-8-yl)oxycyclopentan-1-amine has a molecular weight of 273.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitroisoquinolin-8-yl)oxycyclopentan-1-amine is sourced from PubChem (CID 103142904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).