2-[cyclopropyl-(7-fluoro-5-nitroquinolin-8-yl)amino]ethanol

C14H14FN3O3 — CID 83164161

IUPAC2-[cyclopropyl-(7-fluoro-5-nitroquinolin-8-yl)amino]ethanol
SMILESO=[N+]([O-])c1cc(F)c(N(CCO)C2CC2)c2ncccc12
InChIInChI=1S/C14H14FN3O3/c15-11-8-12(18(20)21)10-2-1-5-16-13(10)14(11)17(6-7-19)9-3-4-9/h1-2,5,8-9,19H,3-4,6-7H2
InChIKeyDHDMNPUPBWUIPF-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.24
Rot. Bonds5

About 2-[cyclopropyl-(7-fluoro-5-nitroquinolin-8-yl)amino]ethanol

2-[cyclopropyl-(7-fluoro-5-nitroquinolin-8-yl)amino]ethanol (PubChem CID 83164161) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-[cyclopropyl-(7-fluoro-5-nitroquinolin-8-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-(7-fluoro-5-nitroquinolin-8-yl)amino]ethanol
PubChem CID83164161
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name2-[cyclopropyl-(7-fluoro-5-nitroquinolin-8-yl)amino]ethanol
SMILESO=[N+]([O-])c1cc(F)c(N(CCO)C2CC2)c2ncccc12
InChIInChI=1S/C14H14FN3O3/c15-11-8-12(18(20)21)10-2-1-5-16-13(10)14(11)17(6-7-19)9-3-4-9/h1-2,5,8-9,19H,3-4,6-7H2
InChIKeyDHDMNPUPBWUIPF-UHFFFAOYSA-N
XLogP2.24
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
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'}

Analyze 2-[cyclopropyl-(7-fluoro-5-nitroquinolin-8-yl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(7-fluoro-5-nitroquinolin-8-yl)amino]ethanol?
The IUPAC name of 2-[cyclopropyl-(7-fluoro-5-nitroquinolin-8-yl)amino]ethanol (CID 83164161) is 2-[cyclopropyl-(7-fluoro-5-nitroquinolin-8-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-(7-fluoro-5-nitroquinolin-8-yl)amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-(7-fluoro-5-nitroquinolin-8-yl)amino]ethanol is O=[N+]([O-])c1cc(F)c(N(CCO)C2CC2)c2ncccc12.
What is the InChIKey of 2-[cyclopropyl-(7-fluoro-5-nitroquinolin-8-yl)amino]ethanol?
The InChIKey is DHDMNPUPBWUIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c15-11-8-12(18(20)21)10-2-1-5-16-13(10)14(11)17(6-7-19)9-3-4-9/h1-2,5,8-9,19H,3-4,6-7H2.
What are the key properties of 2-[cyclopropyl-(7-fluoro-5-nitroquinolin-8-yl)amino]ethanol?
2-[cyclopropyl-(7-fluoro-5-nitroquinolin-8-yl)amino]ethanol has a molecular weight of 291.28 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(7-fluoro-5-nitroquinolin-8-yl)amino]ethanol is sourced from PubChem (CID 83164161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).