9-fluoro-4H-imidazo[2,1-c][1,4]benzoxazin-7-amine

C10H8FN3O — CID 89228080

IUPAC9-fluoro-4H-imidazo[2,1-c][1,4]benzoxazin-7-amine
SMILESNc1cc(F)c2c(c1)OCc1nccn1-2
InChIInChI=1S/C10H8FN3O/c11-7-3-6(12)4-8-10(7)14-2-1-13-9(14)5-15-8/h1-4H,5,12H2
InChIKeyMUAUNJLAMREVPA-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.49
Rot. Bonds

About 9-fluoro-4H-imidazo[2,1-c][1,4]benzoxazin-7-amine

9-fluoro-4H-imidazo[2,1-c][1,4]benzoxazin-7-amine (PubChem CID 89228080) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is 9-fluoro-4H-imidazo[2,1-c][1,4]benzoxazin-7-amine.

Molecular Properties

Compound Name9-fluoro-4H-imidazo[2,1-c][1,4]benzoxazin-7-amine
PubChem CID89228080
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name9-fluoro-4H-imidazo[2,1-c][1,4]benzoxazin-7-amine
SMILESNc1cc(F)c2c(c1)OCc1nccn1-2
InChIInChI=1S/C10H8FN3O/c11-7-3-6(12)4-8-10(7)14-2-1-13-9(14)5-15-8/h1-4H,5,12H2
InChIKeyMUAUNJLAMREVPA-UHFFFAOYSA-N
XLogP1.49
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

CID 118051925
CID 118051925
1-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3-[3-(5-methylimidazol-1-yl)propyl]thiourea
CID 71712424
4H-imidazo[2,1-c][1,4]benzoxazin-2-ylmethanol
CID 12909288
4H-Benzo[b]imidazo[1,2-d][1,4]oxazine-2-carbonitrile
CID 12909291
4-(1H-imidazol-1-yl)-2-methoxyaniline
CID 58314212
2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine;hydrochloride
CID 12909295
(NZ)-N-(4H-imidazo[2,1-c][1,4]benzoxazin-2-ylmethylidene)hydroxylamine
CID 44268731
2-ethoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 75432507
2,3-Dihydro-1,4-benzoxazin-4-yl(imidazol-1-yl)methanone
CID 6623181
3-[2-(1H-Imidazol-1-yl)ethoxy]aniline
CID 14347226
4H-Imidazo[2,1-c][1,4]benzoxazine
CID 341428
N-[[(5S)-3-(4H-imidazo[2,1-c][1,4]benzoxazin-7-yl)-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 485669

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-4H-imidazo[2,1-c][1,4]benzoxazin-7-amine?
The IUPAC name of 9-fluoro-4H-imidazo[2,1-c][1,4]benzoxazin-7-amine (CID 89228080) is 9-fluoro-4H-imidazo[2,1-c][1,4]benzoxazin-7-amine.
What is the SMILES notation for 9-fluoro-4H-imidazo[2,1-c][1,4]benzoxazin-7-amine?
The canonical SMILES for 9-fluoro-4H-imidazo[2,1-c][1,4]benzoxazin-7-amine is Nc1cc(F)c2c(c1)OCc1nccn1-2.
What is the InChIKey of 9-fluoro-4H-imidazo[2,1-c][1,4]benzoxazin-7-amine?
The InChIKey is MUAUNJLAMREVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c11-7-3-6(12)4-8-10(7)14-2-1-13-9(14)5-15-8/h1-4H,5,12H2.
What are the key properties of 9-fluoro-4H-imidazo[2,1-c][1,4]benzoxazin-7-amine?
9-fluoro-4H-imidazo[2,1-c][1,4]benzoxazin-7-amine has a molecular weight of 205.19 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-4H-imidazo[2,1-c][1,4]benzoxazin-7-amine is sourced from PubChem (CID 89228080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).