7-fluoro-N-(2-methylpentan-3-yl)-5-nitroquinolin-8-amine

C15H18FN3O2 — CID 83165391

IUPAC7-fluoro-N-(2-methylpentan-3-yl)-5-nitroquinolin-8-amine
SMILESCCC(Nc1c(F)cc([N+](=O)[O-])c2cccnc12)C(C)C
InChIInChI=1S/C15H18FN3O2/c1-4-12(9(2)3)18-15-11(16)8-13(19(20)21)10-6-5-7-17-14(10)15/h5-9,12,18H,4H2,1-3H3
InChIKeyAXZPIPKPKIZJPY-UHFFFAOYSA-N
MW291.33 g/mol
LogP4.13
Rot. Bonds5

About 7-fluoro-N-(2-methylpentan-3-yl)-5-nitroquinolin-8-amine

7-fluoro-N-(2-methylpentan-3-yl)-5-nitroquinolin-8-amine (PubChem CID 83165391) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 7-fluoro-N-(2-methylpentan-3-yl)-5-nitroquinolin-8-amine.

Molecular Properties

Compound Name7-fluoro-N-(2-methylpentan-3-yl)-5-nitroquinolin-8-amine
PubChem CID83165391
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name7-fluoro-N-(2-methylpentan-3-yl)-5-nitroquinolin-8-amine
SMILESCCC(Nc1c(F)cc([N+](=O)[O-])c2cccnc12)C(C)C
InChIInChI=1S/C15H18FN3O2/c1-4-12(9(2)3)18-15-11(16)8-13(19(20)21)10-6-5-7-17-14(10)15/h5-9,12,18H,4H2,1-3H3
InChIKeyAXZPIPKPKIZJPY-UHFFFAOYSA-N
XLogP4.13
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 54.13
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-but-3-yn-2-yl-7-fluoro-5-nitroquinolin-8-amine
CID 114418109
N-butyl-7-fluoro-5-nitroquinolin-8-amine
CID 83165198
N'-(7-fluoro-5-nitroquinolin-8-yl)propane-1,3-diamine
CID 83164489
N-(3-ethoxypropyl)-7-fluoro-5-nitroquinolin-8-amine
CID 83165001
7-fluoro-N-(2-methylbut-3-yn-2-yl)-5-nitroquinolin-8-amine
CID 83163974
1-(7-fluoro-5-nitroquinolin-8-yl)-N-methylpropan-2-amine
CID 83163979
N-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine
CID 103964023
4-[(7-fluoro-5-nitroquinolin-8-yl)amino]butanamide
CID 83165202
3-(7-fluoro-5-nitroquinolin-8-yl)-4-methylpentan-2-ol
CID 83164695
1-(7-fluoro-5-nitroquinolin-8-yl)pentan-2-ol
CID 83165223
3-[[(7-fluoro-5-nitroquinolin-8-yl)amino]methyl]cyclobutan-1-ol
CID 83164841
4-chloro-N-(2-methylpentan-3-yl)-2-nitroaniline
CID 43781661

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(2-methylpentan-3-yl)-5-nitroquinolin-8-amine?
The IUPAC name of 7-fluoro-N-(2-methylpentan-3-yl)-5-nitroquinolin-8-amine (CID 83165391) is 7-fluoro-N-(2-methylpentan-3-yl)-5-nitroquinolin-8-amine.
What is the SMILES notation for 7-fluoro-N-(2-methylpentan-3-yl)-5-nitroquinolin-8-amine?
The canonical SMILES for 7-fluoro-N-(2-methylpentan-3-yl)-5-nitroquinolin-8-amine is CCC(Nc1c(F)cc([N+](=O)[O-])c2cccnc12)C(C)C.
What is the InChIKey of 7-fluoro-N-(2-methylpentan-3-yl)-5-nitroquinolin-8-amine?
The InChIKey is AXZPIPKPKIZJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-4-12(9(2)3)18-15-11(16)8-13(19(20)21)10-6-5-7-17-14(10)15/h5-9,12,18H,4H2,1-3H3.
What are the key properties of 7-fluoro-N-(2-methylpentan-3-yl)-5-nitroquinolin-8-amine?
7-fluoro-N-(2-methylpentan-3-yl)-5-nitroquinolin-8-amine has a molecular weight of 291.33 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(2-methylpentan-3-yl)-5-nitroquinolin-8-amine is sourced from PubChem (CID 83165391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).