N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-nitroquinolin-5-amine

C14H14N4O2 — CID 43599066

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-8-nitroquinolin-5-amine
SMILESO=[N+]([O-])c1ccc(NC2C3CNCC32)c2cccnc12
InChIInChI=1S/C14H14N4O2/c19-18(20)12-4-3-11(8-2-1-5-16-14(8)12)17-13-9-6-15-7-10(9)13/h1-5,9-10,13,15,17H,6-7H2
InChIKeyBISPLRHGLFZWDY-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.77
Rot. Bonds3

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-nitroquinolin-5-amine

N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-nitroquinolin-5-amine (PubChem CID 43599066) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-nitroquinolin-5-amine.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-8-nitroquinolin-5-amine
PubChem CID43599066
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-8-nitroquinolin-5-amine
SMILESO=[N+]([O-])c1ccc(NC2C3CNCC32)c2cccnc12
InChIInChI=1S/C14H14N4O2/c19-18(20)12-4-3-11(8-2-1-5-16-14(8)12)17-13-9-6-15-7-10(9)13/h1-5,9-10,13,15,17H,6-7H2
InChIKeyBISPLRHGLFZWDY-UHFFFAOYSA-N
XLogP1.77
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
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

N-cycloheptyl-8-nitroquinolin-5-amine
CID 43386323
2-[(8-nitroquinolin-5-yl)amino]cyclohexan-1-ol
CID 62359986
3-[(8-nitroquinolin-5-yl)amino]piperidin-2-one
CID 62091958
8-nitro-N-propan-2-ylquinolin-5-amine
CID 43449523
N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine
CID 62664848
N-(cyclohexylmethyl)-8-nitroquinolin-5-amine
CID 43386314
4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one
CID 46238574
8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine
CID 104973546
N-(2-methyl-3-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 63077105
N-(4-fluoro-2-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 43599097
3-[(8-nitroquinolin-5-yl)amino]propan-1-ol
CID 43386308
N-(2-methylsulfanylethyl)-8-nitroquinolin-5-amine
CID 60661616

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-nitroquinolin-5-amine?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-nitroquinolin-5-amine (CID 43599066) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-nitroquinolin-5-amine.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-nitroquinolin-5-amine?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-nitroquinolin-5-amine is O=[N+]([O-])c1ccc(NC2C3CNCC32)c2cccnc12.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-nitroquinolin-5-amine?
The InChIKey is BISPLRHGLFZWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c19-18(20)12-4-3-11(8-2-1-5-16-14(8)12)17-13-9-6-15-7-10(9)13/h1-5,9-10,13,15,17H,6-7H2.
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-nitroquinolin-5-amine?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-nitroquinolin-5-amine has a molecular weight of 270.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-nitroquinolin-5-amine is sourced from PubChem (CID 43599066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).