N-(3-methylcyclopentyl)-5-nitroisoquinolin-8-amine

C15H17N3O2 — CID 103141963

IUPACN-(3-methylcyclopentyl)-5-nitroisoquinolin-8-amine
SMILESCC1CCC(Nc2ccc([N+](=O)[O-])c3ccncc23)C1
InChIInChI=1S/C15H17N3O2/c1-10-2-3-11(8-10)17-14-4-5-15(18(19)20)12-6-7-16-9-13(12)14/h4-7,9-11,17H,2-3,8H2,1H3
InChIKeyVLDVGGFUQRYEST-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.74
Rot. Bonds3

About N-(3-methylcyclopentyl)-5-nitroisoquinolin-8-amine

N-(3-methylcyclopentyl)-5-nitroisoquinolin-8-amine (PubChem CID 103141963) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(3-methylcyclopentyl)-5-nitroisoquinolin-8-amine.

Molecular Properties

Compound NameN-(3-methylcyclopentyl)-5-nitroisoquinolin-8-amine
PubChem CID103141963
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(3-methylcyclopentyl)-5-nitroisoquinolin-8-amine
SMILESCC1CCC(Nc2ccc([N+](=O)[O-])c3ccncc23)C1
InChIInChI=1S/C15H17N3O2/c1-10-2-3-11(8-10)17-14-4-5-15(18(19)20)12-6-7-16-9-13(12)14/h4-7,9-11,17H,2-3,8H2,1H3
InChIKeyVLDVGGFUQRYEST-UHFFFAOYSA-N
XLogP3.74
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-[(5-nitroisoquinolin-8-yl)amino]piperidin-2-one
CID 103141706
N-cyclopent-3-en-1-yl-8-nitroisoquinolin-5-amine
CID 115695558
N-(1,1-dioxothiolan-3-yl)-8-nitroisoquinolin-5-amine
CID 43386259
N-(2-cyclopropylpropyl)-5-nitroisoquinolin-8-amine
CID 103141896
trans-(1S,2S)-2-[(8-nitroisoquinolin-5-yl)amino]cyclohexan-1-ol
CID 133495382
2-N-(8-nitroisoquinolin-5-yl)cyclohexane-1,2-diamine
CID 61038249
5-nitro-N-(pyrrolidin-3-ylmethyl)isoquinolin-8-amine
CID 103142263
8-N-(3-methylcyclobutyl)isoquinoline-5,8-diamine
CID 103139155
5-nitro-N-(piperidin-3-ylmethyl)isoquinolin-8-amine
CID 103142047
N-ethyl-3-[(5-nitroisoquinolin-8-yl)amino]propanamide
CID 103141877
3-[(5-nitroisoquinolin-8-yl)amino]propanoic acid
CID 103140204
N-methyl-2-[(5-nitroisoquinolin-8-yl)amino]ethanesulfonamide
CID 106337901

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclopentyl)-5-nitroisoquinolin-8-amine?
The IUPAC name of N-(3-methylcyclopentyl)-5-nitroisoquinolin-8-amine (CID 103141963) is N-(3-methylcyclopentyl)-5-nitroisoquinolin-8-amine.
What is the SMILES notation for N-(3-methylcyclopentyl)-5-nitroisoquinolin-8-amine?
The canonical SMILES for N-(3-methylcyclopentyl)-5-nitroisoquinolin-8-amine is CC1CCC(Nc2ccc([N+](=O)[O-])c3ccncc23)C1.
What is the InChIKey of N-(3-methylcyclopentyl)-5-nitroisoquinolin-8-amine?
The InChIKey is VLDVGGFUQRYEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-2-3-11(8-10)17-14-4-5-15(18(19)20)12-6-7-16-9-13(12)14/h4-7,9-11,17H,2-3,8H2,1H3.
What are the key properties of N-(3-methylcyclopentyl)-5-nitroisoquinolin-8-amine?
N-(3-methylcyclopentyl)-5-nitroisoquinolin-8-amine has a molecular weight of 271.32 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclopentyl)-5-nitroisoquinolin-8-amine is sourced from PubChem (CID 103141963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).