N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-6-nitroquinolin-2-amine

C18H14FN3O2 — CID 68628643

IUPACN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-6-nitroquinolin-2-amine
SMILESO=[N+]([O-])c1ccc2nc(NC3CCc4cc(F)ccc43)ccc2c1
InChIInChI=1S/C18H14FN3O2/c19-13-3-5-15-11(9-13)1-6-17(15)21-18-8-2-12-10-14(22(23)24)4-7-16(12)20-18/h2-5,7-10,17H,1,6H2,(H,20,21)
InChIKeyPSOCLFSNUZMRRD-UHFFFAOYSA-N
MW323.33 g/mol
LogP4.38
Rot. Bonds3

About N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-6-nitroquinolin-2-amine

N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-6-nitroquinolin-2-amine (PubChem CID 68628643) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-6-nitroquinolin-2-amine.

Molecular Properties

Compound NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-6-nitroquinolin-2-amine
PubChem CID68628643
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-6-nitroquinolin-2-amine
SMILESO=[N+]([O-])c1ccc2nc(NC3CCc4cc(F)ccc43)ccc2c1
InChIInChI=1S/C18H14FN3O2/c19-13-3-5-15-11(9-13)1-6-17(15)21-18-8-2-12-10-14(22(23)24)4-7-16(12)20-18/h2-5,7-10,17H,1,6H2,(H,20,21)
InChIKeyPSOCLFSNUZMRRD-UHFFFAOYSA-N
XLogP4.38
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 54.38
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 N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-6-nitroquinolin-2-amine?
The IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-6-nitroquinolin-2-amine (CID 68628643) is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-6-nitroquinolin-2-amine.
What is the SMILES notation for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-6-nitroquinolin-2-amine?
The canonical SMILES for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-6-nitroquinolin-2-amine is O=[N+]([O-])c1ccc2nc(NC3CCc4cc(F)ccc43)ccc2c1.
What is the InChIKey of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-6-nitroquinolin-2-amine?
The InChIKey is PSOCLFSNUZMRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c19-13-3-5-15-11(9-13)1-6-17(15)21-18-8-2-12-10-14(22(23)24)4-7-16(12)20-18/h2-5,7-10,17H,1,6H2,(H,20,21).
What are the key properties of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-6-nitroquinolin-2-amine?
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-6-nitroquinolin-2-amine has a molecular weight of 323.33 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-6-nitroquinolin-2-amine is sourced from PubChem (CID 68628643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).