3-nitro-4-(2-propylimidazol-1-yl)quinoline

C15H14N4O2 — CID 103964908

IUPAC3-nitro-4-(2-propylimidazol-1-yl)quinoline
SMILESCCCc1nccn1-c1c([N+](=O)[O-])cnc2ccccc12
InChIInChI=1S/C15H14N4O2/c1-2-5-14-16-8-9-18(14)15-11-6-3-4-7-12(11)17-10-13(15)19(20)21/h3-4,6-10H,2,5H2,1H3
InChIKeyOAZOONRKUHWIEE-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.28
Rot. Bonds4

About 3-nitro-4-(2-propylimidazol-1-yl)quinoline

3-nitro-4-(2-propylimidazol-1-yl)quinoline (PubChem CID 103964908) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-nitro-4-(2-propylimidazol-1-yl)quinoline.

Molecular Properties

Compound Name3-nitro-4-(2-propylimidazol-1-yl)quinoline
PubChem CID103964908
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name3-nitro-4-(2-propylimidazol-1-yl)quinoline
SMILESCCCc1nccn1-c1c([N+](=O)[O-])cnc2ccccc12
InChIInChI=1S/C15H14N4O2/c1-2-5-14-16-8-9-18(14)15-11-6-3-4-7-12(11)17-10-13(15)19(20)21/h3-4,6-10H,2,5H2,1H3
InChIKeyOAZOONRKUHWIEE-UHFFFAOYSA-N
XLogP3.28
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
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

1-(3-nitroquinolin-4-yl)pyrrole-2-carbonitrile
CID 114653212
1-(3-nitroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673427
3-(2-propylimidazol-1-yl)quinoline
CID 50972942
6-methoxy-3-nitro-2-(2-propylimidazol-1-yl)pyridine
CID 115323542
2-[1-(2-methyl-6-nitrophenyl)imidazol-2-yl]ethanamine
CID 113334110
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-nitroquinoline
CID 103964827
4-chloro-3-nitroquinoline;ethane
CID 90799881
2-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-amine
CID 103964815
3-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-ol
CID 114680956
2-nitro-N-propyl-3-(2-propylimidazol-1-yl)aniline
CID 80841883
N-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine
CID 106329770
N-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine
CID 103964023

Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-(2-propylimidazol-1-yl)quinoline?
The IUPAC name of 3-nitro-4-(2-propylimidazol-1-yl)quinoline (CID 103964908) is 3-nitro-4-(2-propylimidazol-1-yl)quinoline.
What is the SMILES notation for 3-nitro-4-(2-propylimidazol-1-yl)quinoline?
The canonical SMILES for 3-nitro-4-(2-propylimidazol-1-yl)quinoline is CCCc1nccn1-c1c([N+](=O)[O-])cnc2ccccc12.
What is the InChIKey of 3-nitro-4-(2-propylimidazol-1-yl)quinoline?
The InChIKey is OAZOONRKUHWIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-5-14-16-8-9-18(14)15-11-6-3-4-7-12(11)17-10-13(15)19(20)21/h3-4,6-10H,2,5H2,1H3.
What are the key properties of 3-nitro-4-(2-propylimidazol-1-yl)quinoline?
3-nitro-4-(2-propylimidazol-1-yl)quinoline has a molecular weight of 282.30 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-(2-propylimidazol-1-yl)quinoline is sourced from PubChem (CID 103964908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).