N'-(7-fluoro-5-nitroquinolin-8-yl)-N'-methylethane-1,2-diamine

C12H13FN4O2 — CID 83165215

IUPACN'-(7-fluoro-5-nitroquinolin-8-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1c(F)cc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C12H13FN4O2/c1-16(6-4-14)12-9(13)7-10(17(18)19)8-3-2-5-15-11(8)12/h2-3,5,7H,4,6,14H2,1H3
InChIKeyHAXWEBDWUVACTR-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.68
Rot. Bonds4

About N'-(7-fluoro-5-nitroquinolin-8-yl)-N'-methylethane-1,2-diamine

N'-(7-fluoro-5-nitroquinolin-8-yl)-N'-methylethane-1,2-diamine (PubChem CID 83165215) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is N'-(7-fluoro-5-nitroquinolin-8-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(7-fluoro-5-nitroquinolin-8-yl)-N'-methylethane-1,2-diamine
PubChem CID83165215
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC NameN'-(7-fluoro-5-nitroquinolin-8-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1c(F)cc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C12H13FN4O2/c1-16(6-4-14)12-9(13)7-10(17(18)19)8-3-2-5-15-11(8)12/h2-3,5,7H,4,6,14H2,1H3
InChIKeyHAXWEBDWUVACTR-UHFFFAOYSA-N
XLogP1.68
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.68
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'}

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Related Compounds

2-[(7-fluoro-5-nitroquinolin-8-yl)-methylamino]ethanol
CID 83164329
2-[(7-fluoro-5-nitroquinolin-8-yl)-(2-hydroxyethyl)amino]ethanol
CID 83164503
3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine
CID 83166049
N-(azetidin-3-yl)-N-ethyl-7-fluoro-5-nitroquinolin-8-amine
CID 83163760
2-[cyclopropyl-(7-fluoro-5-nitroquinolin-8-yl)amino]ethanol
CID 83164161
N'-(7-fluoro-5-nitroquinolin-8-yl)propane-1,3-diamine
CID 83164489
5-fluoro-8-methoxy-7-nitroquinoline
CID 166150140
1-(7-fluoro-5-nitroquinolin-8-yl)-N-methylpropan-2-amine
CID 83163979
N-butyl-7-fluoro-5-nitroquinolin-8-amine
CID 83165198
3-(7-fluoro-5-nitroquinolin-8-yl)-4-methylpentan-2-ol
CID 83164695
2-(7-fluoro-5-nitroquinolin-8-yl)sulfanylethanol
CID 83165539
1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanamine
CID 83164334

Frequently Asked Questions

What is the IUPAC name of N'-(7-fluoro-5-nitroquinolin-8-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(7-fluoro-5-nitroquinolin-8-yl)-N'-methylethane-1,2-diamine (CID 83165215) is N'-(7-fluoro-5-nitroquinolin-8-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(7-fluoro-5-nitroquinolin-8-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(7-fluoro-5-nitroquinolin-8-yl)-N'-methylethane-1,2-diamine is CN(CCN)c1c(F)cc([N+](=O)[O-])c2cccnc12.
What is the InChIKey of N'-(7-fluoro-5-nitroquinolin-8-yl)-N'-methylethane-1,2-diamine?
The InChIKey is HAXWEBDWUVACTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c1-16(6-4-14)12-9(13)7-10(17(18)19)8-3-2-5-15-11(8)12/h2-3,5,7H,4,6,14H2,1H3.
What are the key properties of N'-(7-fluoro-5-nitroquinolin-8-yl)-N'-methylethane-1,2-diamine?
N'-(7-fluoro-5-nitroquinolin-8-yl)-N'-methylethane-1,2-diamine has a molecular weight of 264.26 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-fluoro-5-nitroquinolin-8-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 83165215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).