N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine

C16H19N3O2 — CID 63536615

IUPACN-(2-cyclopentylethyl)-5-nitroquinolin-6-amine
SMILESO=[N+]([O-])c1c(NCCC2CCCC2)ccc2ncccc12
InChIInChI=1S/C16H19N3O2/c20-19(21)16-13-6-3-10-17-14(13)7-8-15(16)18-11-9-12-4-1-2-5-12/h3,6-8,10,12,18H,1-2,4-5,9,11H2
InChIKeyDIIMKGIXXMKIQH-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.14
Rot. Bonds5

About N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine

N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine (PubChem CID 63536615) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-5-nitroquinolin-6-amine
PubChem CID63536615
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(2-cyclopentylethyl)-5-nitroquinolin-6-amine
SMILESO=[N+]([O-])c1c(NCCC2CCCC2)ccc2ncccc12
InChIInChI=1S/C16H19N3O2/c20-19(21)16-13-6-3-10-17-14(13)7-8-15(16)18-11-9-12-4-1-2-5-12/h3,6-8,10,12,18H,1-2,4-5,9,11H2
InChIKeyDIIMKGIXXMKIQH-UHFFFAOYSA-N
XLogP4.14
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.14
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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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine?
The IUPAC name of N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine (CID 63536615) is N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine.
What is the SMILES notation for N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine?
The canonical SMILES for N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine is O=[N+]([O-])c1c(NCCC2CCCC2)ccc2ncccc12.
What is the InChIKey of N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine?
The InChIKey is DIIMKGIXXMKIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-19(21)16-13-6-3-10-17-14(13)7-8-15(16)18-11-9-12-4-1-2-5-12/h3,6-8,10,12,18H,1-2,4-5,9,11H2.
What are the key properties of N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine?
N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine has a molecular weight of 285.35 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine is sourced from PubChem (CID 63536615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).