1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanol

C14H13FN2O3 — CID 83165720

IUPAC1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanol
SMILESO=[N+]([O-])c1cc(F)c(CC(O)C2CC2)c2ncccc12
InChIInChI=1S/C14H13FN2O3/c15-11-7-12(17(19)20)9-2-1-5-16-14(9)10(11)6-13(18)8-3-4-8/h1-2,5,7-8,13,18H,3-4,6H2
InChIKeyZJARYMMQICXLQZ-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.60
Rot. Bonds4

About 1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanol

1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanol (PubChem CID 83165720) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanol
PubChem CID83165720
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanol
SMILESO=[N+]([O-])c1cc(F)c(CC(O)C2CC2)c2ncccc12
InChIInChI=1S/C14H13FN2O3/c15-11-7-12(17(19)20)9-2-1-5-16-14(9)10(11)6-13(18)8-3-4-8/h1-2,5,7-8,13,18H,3-4,6H2
InChIKeyZJARYMMQICXLQZ-UHFFFAOYSA-N
XLogP2.60
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.60
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanol?
The IUPAC name of 1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanol (CID 83165720) is 1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanol is O=[N+]([O-])c1cc(F)c(CC(O)C2CC2)c2ncccc12.
What is the InChIKey of 1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanol?
The InChIKey is ZJARYMMQICXLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c15-11-7-12(17(19)20)9-2-1-5-16-14(9)10(11)6-13(18)8-3-4-8/h1-2,5,7-8,13,18H,3-4,6H2.
What are the key properties of 1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanol?
1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanol has a molecular weight of 276.27 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanol is sourced from PubChem (CID 83165720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).