3-(7-fluoro-5-nitroquinolin-8-yl)-4-methylpentan-2-ol

C15H17FN2O3 — CID 83164695

IUPAC3-(7-fluoro-5-nitroquinolin-8-yl)-4-methylpentan-2-ol
SMILESCC(C)C(c1c(F)cc([N+](=O)[O-])c2cccnc12)C(C)O
InChIInChI=1S/C15H17FN2O3/c1-8(2)13(9(3)19)14-11(16)7-12(18(20)21)10-5-4-6-17-15(10)14/h4-9,13,19H,1-3H3
InChIKeyREPJEDRGGHAOPI-UHFFFAOYSA-N
MW292.31 g/mol
LogP3.40
Rot. Bonds4

About 3-(7-fluoro-5-nitroquinolin-8-yl)-4-methylpentan-2-ol

3-(7-fluoro-5-nitroquinolin-8-yl)-4-methylpentan-2-ol (PubChem CID 83164695) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-(7-fluoro-5-nitroquinolin-8-yl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name3-(7-fluoro-5-nitroquinolin-8-yl)-4-methylpentan-2-ol
PubChem CID83164695
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name3-(7-fluoro-5-nitroquinolin-8-yl)-4-methylpentan-2-ol
SMILESCC(C)C(c1c(F)cc([N+](=O)[O-])c2cccnc12)C(C)O
InChIInChI=1S/C15H17FN2O3/c1-8(2)13(9(3)19)14-11(16)7-12(18(20)21)10-5-4-6-17-15(10)14/h4-9,13,19H,1-3H3
InChIKeyREPJEDRGGHAOPI-UHFFFAOYSA-N
XLogP3.40
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.40
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

3-(7-fluoro-5-nitroquinolin-8-yl)sulfanylbutan-2-ol
CID 107771097
1-(7-fluoro-5-nitroquinolin-8-yl)pentan-2-ol
CID 83165223
5-fluoro-8-methoxy-7-nitroquinoline
CID 166150140
1-(7-fluoro-5-nitroquinolin-8-yl)-N-methylpropan-2-amine
CID 83163979
1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanol
CID 83165720
7-fluoro-N-(2-methylpentan-3-yl)-5-nitroquinolin-8-amine
CID 83165391
2-[(7-fluoro-5-nitroquinolin-8-yl)-methylamino]ethanol
CID 83164329
N-but-3-yn-2-yl-7-fluoro-5-nitroquinolin-8-amine
CID 114418109
2-[(7-fluoro-5-nitroquinolin-8-yl)-(2-hydroxyethyl)amino]ethanol
CID 83164503
3-(7-fluoro-5-nitroquinolin-8-yl)sulfanylbutanoic acid
CID 83164137
N'-(7-fluoro-5-nitroquinolin-8-yl)-N'-methylethane-1,2-diamine
CID 83165215
2-(7-fluoro-5-nitroquinolin-8-yl)sulfanylethanol
CID 83165539

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-5-nitroquinolin-8-yl)-4-methylpentan-2-ol?
The IUPAC name of 3-(7-fluoro-5-nitroquinolin-8-yl)-4-methylpentan-2-ol (CID 83164695) is 3-(7-fluoro-5-nitroquinolin-8-yl)-4-methylpentan-2-ol.
What is the SMILES notation for 3-(7-fluoro-5-nitroquinolin-8-yl)-4-methylpentan-2-ol?
The canonical SMILES for 3-(7-fluoro-5-nitroquinolin-8-yl)-4-methylpentan-2-ol is CC(C)C(c1c(F)cc([N+](=O)[O-])c2cccnc12)C(C)O.
What is the InChIKey of 3-(7-fluoro-5-nitroquinolin-8-yl)-4-methylpentan-2-ol?
The InChIKey is REPJEDRGGHAOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-8(2)13(9(3)19)14-11(16)7-12(18(20)21)10-5-4-6-17-15(10)14/h4-9,13,19H,1-3H3.
What are the key properties of 3-(7-fluoro-5-nitroquinolin-8-yl)-4-methylpentan-2-ol?
3-(7-fluoro-5-nitroquinolin-8-yl)-4-methylpentan-2-ol has a molecular weight of 292.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-5-nitroquinolin-8-yl)-4-methylpentan-2-ol is sourced from PubChem (CID 83164695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).