8-nitro-N-pentan-3-ylquinolin-4-amine

C14H17N3O2 — CID 83060706

IUPAC8-nitro-N-pentan-3-ylquinolin-4-amine
SMILESCCC(CC)Nc1ccnc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C14H17N3O2/c1-3-10(4-2)16-12-8-9-15-14-11(12)6-5-7-13(14)17(18)19/h5-10H,3-4H2,1-2H3,(H,15,16)
InChIKeyYGADWIBOMCHJDJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.74
Rot. Bonds5

About 8-nitro-N-pentan-3-ylquinolin-4-amine

8-nitro-N-pentan-3-ylquinolin-4-amine (PubChem CID 83060706) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 8-nitro-N-pentan-3-ylquinolin-4-amine.

Molecular Properties

Compound Name8-nitro-N-pentan-3-ylquinolin-4-amine
PubChem CID83060706
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name8-nitro-N-pentan-3-ylquinolin-4-amine
SMILESCCC(CC)Nc1ccnc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C14H17N3O2/c1-3-10(4-2)16-12-8-9-15-14-11(12)6-5-7-13(14)17(18)19/h5-10H,3-4H2,1-2H3,(H,15,16)
InChIKeyYGADWIBOMCHJDJ-UHFFFAOYSA-N
XLogP3.74
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
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

2-[(8-nitroquinolin-4-yl)amino]butan-1-ol
CID 83061011
3-[(8-nitroquinolin-4-yl)amino]pentanoic acid
CID 83066525
N-(2-methylbutyl)-8-nitroquinolin-4-amine
CID 83061235
N-(1-methylsulfonylpropan-2-yl)-8-nitroquinolin-4-amine
CID 83067027
4-[(8-nitroquinolin-4-yl)amino]pentan-1-ol
CID 83060786
2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 83066709
8-nitro-N-propan-2-ylquinolin-5-amine
CID 43449523
2-methyl-1-[(8-nitroquinolin-4-yl)amino]pentan-2-ol
CID 106290733
4-[(8-nitroquinolin-4-yl)amino]butan-1-ol
CID 106842695
N-but-3-enyl-8-nitroquinolin-4-amine
CID 113465769
8-nitro-N-(1H-pyrazol-5-ylmethyl)quinolin-4-amine
CID 83066852
2-(8-nitroquinolin-4-yl)butanoic acid
CID 113428090

Frequently Asked Questions

What is the IUPAC name of 8-nitro-N-pentan-3-ylquinolin-4-amine?
The IUPAC name of 8-nitro-N-pentan-3-ylquinolin-4-amine (CID 83060706) is 8-nitro-N-pentan-3-ylquinolin-4-amine.
What is the SMILES notation for 8-nitro-N-pentan-3-ylquinolin-4-amine?
The canonical SMILES for 8-nitro-N-pentan-3-ylquinolin-4-amine is CCC(CC)Nc1ccnc2c([N+](=O)[O-])cccc12.
What is the InChIKey of 8-nitro-N-pentan-3-ylquinolin-4-amine?
The InChIKey is YGADWIBOMCHJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-10(4-2)16-12-8-9-15-14-11(12)6-5-7-13(14)17(18)19/h5-10H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 8-nitro-N-pentan-3-ylquinolin-4-amine?
8-nitro-N-pentan-3-ylquinolin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-N-pentan-3-ylquinolin-4-amine is sourced from PubChem (CID 83060706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).