N-(2-methylbutyl)-8-nitroquinolin-4-amine

C14H17N3O2 — CID 83061235

IUPACN-(2-methylbutyl)-8-nitroquinolin-4-amine
SMILESCCC(C)CNc1ccnc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C14H17N3O2/c1-3-10(2)9-16-12-7-8-15-14-11(12)5-4-6-13(14)17(18)19/h4-8,10H,3,9H2,1-2H3,(H,15,16)
InChIKeyOOQROGDHTUMEOV-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.60
Rot. Bonds5

About N-(2-methylbutyl)-8-nitroquinolin-4-amine

N-(2-methylbutyl)-8-nitroquinolin-4-amine (PubChem CID 83061235) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2-methylbutyl)-8-nitroquinolin-4-amine.

Molecular Properties

Compound NameN-(2-methylbutyl)-8-nitroquinolin-4-amine
PubChem CID83061235
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(2-methylbutyl)-8-nitroquinolin-4-amine
SMILESCCC(C)CNc1ccnc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C14H17N3O2/c1-3-10(2)9-16-12-7-8-15-14-11(12)5-4-6-13(14)17(18)19/h4-8,10H,3,9H2,1-2H3,(H,15,16)
InChIKeyOOQROGDHTUMEOV-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
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

8-nitro-N-pentan-3-ylquinolin-4-amine
CID 83060706
2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 83066709
2-[(8-nitroquinolin-4-yl)amino]butan-1-ol
CID 83061011
3-[(8-nitroquinolin-4-yl)amino]pentanoic acid
CID 83066525
N-(2-methylbutyl)-2-nitroaniline
CID 43718114
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
N-(1-methylsulfonylpropan-2-yl)-8-nitroquinolin-4-amine
CID 83067027
3-(8-nitroquinolin-4-yl)-N-propylbutan-2-amine
CID 83067409
4-[(8-nitroquinolin-4-yl)amino]butanoic acid
CID 83060998
N-(2,2-dimethoxyethyl)-8-nitroquinolin-5-amine
CID 107390120

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-8-nitroquinolin-4-amine?
The IUPAC name of N-(2-methylbutyl)-8-nitroquinolin-4-amine (CID 83061235) is N-(2-methylbutyl)-8-nitroquinolin-4-amine.
What is the SMILES notation for N-(2-methylbutyl)-8-nitroquinolin-4-amine?
The canonical SMILES for N-(2-methylbutyl)-8-nitroquinolin-4-amine is CCC(C)CNc1ccnc2c([N+](=O)[O-])cccc12.
What is the InChIKey of N-(2-methylbutyl)-8-nitroquinolin-4-amine?
The InChIKey is OOQROGDHTUMEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-10(2)9-16-12-7-8-15-14-11(12)5-4-6-13(14)17(18)19/h4-8,10H,3,9H2,1-2H3,(H,15,16).
What are the key properties of N-(2-methylbutyl)-8-nitroquinolin-4-amine?
N-(2-methylbutyl)-8-nitroquinolin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-8-nitroquinolin-4-amine is sourced from PubChem (CID 83061235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).