N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine

C15H17N3O2 — CID 115689907

IUPACN-(2-cyclobutylethyl)-5-nitroquinolin-8-amine
SMILESO=[N+]([O-])c1ccc(NCCC2CCC2)c2ncccc12
InChIInChI=1S/C15H17N3O2/c19-18(20)14-7-6-13(15-12(14)5-2-9-17-15)16-10-8-11-3-1-4-11/h2,5-7,9,11,16H,1,3-4,8,10H2
InChIKeyGQNJYEJAHDZIMD-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.75
Rot. Bonds5

About N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine

N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine (PubChem CID 115689907) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine.

Molecular Properties

Compound NameN-(2-cyclobutylethyl)-5-nitroquinolin-8-amine
PubChem CID115689907
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(2-cyclobutylethyl)-5-nitroquinolin-8-amine
SMILESO=[N+]([O-])c1ccc(NCCC2CCC2)c2ncccc12
InChIInChI=1S/C15H17N3O2/c19-18(20)14-7-6-13(15-12(14)5-2-9-17-15)16-10-8-11-3-1-4-11/h2,5-7,9,11,16H,1,3-4,8,10H2
InChIKeyGQNJYEJAHDZIMD-UHFFFAOYSA-N
XLogP3.75
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.75
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

N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
N-(3-cyclohexyloxypropyl)-5-nitroquinolin-8-amine
CID 31539522
5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine
CID 62350492
N-(cyclohexylmethyl)-8-nitroquinolin-5-amine
CID 43386314
N-(2-methylsulfanylethyl)-5-nitroquinolin-8-amine
CID 60726466
N'-cyclopropyl-N'-ethyl-N-(5-nitroquinolin-8-yl)ethane-1,2-diamine
CID 133354869
N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine
CID 62664848
N-(cyclopropylmethyl)-2-[(5-nitroquinolin-8-yl)amino]acetamide
CID 133441769
N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine
CID 63536615
N-(2-cyclopentylethyl)-2-nitropyridin-3-amine
CID 112685150
8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine
CID 104973546
N-[3-[(5-nitroquinolin-8-yl)amino]propyl]methanesulfonamide
CID 36729613

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine?
The IUPAC name of N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine (CID 115689907) is N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine.
What is the SMILES notation for N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine?
The canonical SMILES for N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine is O=[N+]([O-])c1ccc(NCCC2CCC2)c2ncccc12.
What is the InChIKey of N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine?
The InChIKey is GQNJYEJAHDZIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-18(20)14-7-6-13(15-12(14)5-2-9-17-15)16-10-8-11-3-1-4-11/h2,5-7,9,11,16H,1,3-4,8,10H2.
What are the key properties of N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine?
N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine has a molecular weight of 271.32 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine is sourced from PubChem (CID 115689907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).