8-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-7-fluoroquinolin-5-amine

C16H18FN3O — CID 83166153

IUPAC8-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-7-fluoroquinolin-5-amine
SMILESNc1cc(F)c(N2CCOC3CCCC32)c2ncccc12
InChIInChI=1S/C16H18FN3O/c17-11-9-12(18)10-3-2-6-19-15(10)16(11)20-7-8-21-14-5-1-4-13(14)20/h2-3,6,9,13-14H,1,4-5,7-8,18H2
InChIKeyQNPPJSHNLVBCIB-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.71
Rot. Bonds1

About 8-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-7-fluoroquinolin-5-amine

8-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-7-fluoroquinolin-5-amine (PubChem CID 83166153) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 8-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-7-fluoroquinolin-5-amine.

Molecular Properties

Compound Name8-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-7-fluoroquinolin-5-amine
PubChem CID83166153
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name8-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-7-fluoroquinolin-5-amine
SMILESNc1cc(F)c(N2CCOC3CCCC32)c2ncccc12
InChIInChI=1S/C16H18FN3O/c17-11-9-12(18)10-3-2-6-19-15(10)16(11)20-7-8-21-14-5-1-4-13(14)20/h2-3,6,9,13-14H,1,4-5,7-8,18H2
InChIKeyQNPPJSHNLVBCIB-UHFFFAOYSA-N
XLogP2.71
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-7-fluoroquinolin-5-amine with MolForge

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Related Compounds

7-fluoro-8-(2-propan-2-ylpyrrolidin-1-yl)quinolin-5-amine
CID 83164118
7-fluoro-8-(1,4-oxazepan-4-yl)quinolin-5-amine
CID 83164110
8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine
CID 83166349
1-(5-amino-7-fluoroquinolin-8-yl)piperidine-4-carboxamide
CID 83163699
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-difluorobenzonitrile
CID 81283690
7-fluoro-8-(4-methyl-1,4-diazepan-1-yl)quinolin-5-amine
CID 83173958
1-(5-amino-7-fluoroquinolin-8-yl)-4-methylazepan-4-ol
CID 107403613
(4aR,8aR)-4-pyrimidin-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 98775699
1-(5-amino-7-fluoroquinolin-8-yl)-1,4-diazepan-5-one
CID 83164796
1-[1-(5-amino-7-fluoroquinolin-8-yl)pyrrolidin-3-yl]ethanol
CID 115964840
7-fluoro-8-(1-methylpiperidin-4-yl)oxyquinolin-5-amine
CID 83164133
8-(3,3-dimethylpyrrolidin-1-yl)-7-fluoroquinolin-5-amine
CID 83165348

Frequently Asked Questions

What is the IUPAC name of 8-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-7-fluoroquinolin-5-amine?
The IUPAC name of 8-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-7-fluoroquinolin-5-amine (CID 83166153) is 8-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-7-fluoroquinolin-5-amine.
What is the SMILES notation for 8-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-7-fluoroquinolin-5-amine?
The canonical SMILES for 8-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-7-fluoroquinolin-5-amine is Nc1cc(F)c(N2CCOC3CCCC32)c2ncccc12.
What is the InChIKey of 8-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-7-fluoroquinolin-5-amine?
The InChIKey is QNPPJSHNLVBCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-11-9-12(18)10-3-2-6-19-15(10)16(11)20-7-8-21-14-5-1-4-13(14)20/h2-3,6,9,13-14H,1,4-5,7-8,18H2.
What are the key properties of 8-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-7-fluoroquinolin-5-amine?
8-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-7-fluoroquinolin-5-amine has a molecular weight of 287.34 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-7-fluoroquinolin-5-amine is sourced from PubChem (CID 83166153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).