N-(azetidin-3-yl)-N-ethyl-7-fluoro-5-nitroquinolin-8-amine

C14H15FN4O2 — CID 83163760

IUPACN-(azetidin-3-yl)-N-ethyl-7-fluoro-5-nitroquinolin-8-amine
SMILESCCN(c1c(F)cc([N+](=O)[O-])c2cccnc12)C1CNC1
InChIInChI=1S/C14H15FN4O2/c1-2-18(9-7-16-8-9)14-11(15)6-12(19(20)21)10-4-3-5-17-13(10)14/h3-6,9,16H,2,7-8H2,1H3
InChIKeyLKXUGDBDMUAELA-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.08
Rot. Bonds4

About N-(azetidin-3-yl)-N-ethyl-7-fluoro-5-nitroquinolin-8-amine

N-(azetidin-3-yl)-N-ethyl-7-fluoro-5-nitroquinolin-8-amine (PubChem CID 83163760) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethyl-7-fluoro-5-nitroquinolin-8-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethyl-7-fluoro-5-nitroquinolin-8-amine
PubChem CID83163760
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC NameN-(azetidin-3-yl)-N-ethyl-7-fluoro-5-nitroquinolin-8-amine
SMILESCCN(c1c(F)cc([N+](=O)[O-])c2cccnc12)C1CNC1
InChIInChI=1S/C14H15FN4O2/c1-2-18(9-7-16-8-9)14-11(15)6-12(19(20)21)10-4-3-5-17-13(10)14/h3-6,9,16H,2,7-8H2,1H3
InChIKeyLKXUGDBDMUAELA-UHFFFAOYSA-N
XLogP2.08
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.08
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 N-(azetidin-3-yl)-N-ethyl-7-fluoro-5-nitroquinolin-8-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-[cyclopropyl-(7-fluoro-5-nitroquinolin-8-yl)amino]ethanol
CID 83164161
N-(2,3-difluoro-6-nitrophenyl)-N-ethylazetidin-3-amine
CID 66181559
N'-(7-fluoro-5-nitroquinolin-8-yl)-N'-methylethane-1,2-diamine
CID 83165215
2-[(7-fluoro-5-nitroquinolin-8-yl)-methylamino]ethanol
CID 83164329
2-[(7-fluoro-5-nitroquinolin-8-yl)-(2-hydroxyethyl)amino]ethanol
CID 83164503
N-(4-chloro-5-fluoro-2-nitrophenyl)-N-ethylazetidin-3-amine
CID 66183042
N-(2-fluoro-6-nitrophenyl)-N-propylazetidin-3-amine
CID 112740791
N-butyl-7-fluoro-5-nitroquinolin-8-amine
CID 83165198
5-fluoro-8-methoxy-7-nitroquinoline
CID 166150140
1-(7-fluoro-5-nitroquinolin-8-yl)-N-methylpropan-2-amine
CID 83163979
3-(7-fluoro-5-nitroquinolin-8-yl)-4-methylpentan-2-ol
CID 83164695
1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanol
CID 83165720

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-ethyl-7-fluoro-5-nitroquinolin-8-amine?
The IUPAC name of N-(azetidin-3-yl)-N-ethyl-7-fluoro-5-nitroquinolin-8-amine (CID 83163760) is N-(azetidin-3-yl)-N-ethyl-7-fluoro-5-nitroquinolin-8-amine.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethyl-7-fluoro-5-nitroquinolin-8-amine?
The canonical SMILES for N-(azetidin-3-yl)-N-ethyl-7-fluoro-5-nitroquinolin-8-amine is CCN(c1c(F)cc([N+](=O)[O-])c2cccnc12)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-ethyl-7-fluoro-5-nitroquinolin-8-amine?
The InChIKey is LKXUGDBDMUAELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-2-18(9-7-16-8-9)14-11(15)6-12(19(20)21)10-4-3-5-17-13(10)14/h3-6,9,16H,2,7-8H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-ethyl-7-fluoro-5-nitroquinolin-8-amine?
N-(azetidin-3-yl)-N-ethyl-7-fluoro-5-nitroquinolin-8-amine has a molecular weight of 290.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-ethyl-7-fluoro-5-nitroquinolin-8-amine is sourced from PubChem (CID 83163760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).