7-fluoro-8-(1,4-oxazepan-4-yl)quinolin-5-amine

C14H16FN3O — CID 83164110

IUPAC7-fluoro-8-(1,4-oxazepan-4-yl)quinolin-5-amine
SMILESNc1cc(F)c(N2CCCOCC2)c2ncccc12
InChIInChI=1S/C14H16FN3O/c15-11-9-12(16)10-3-1-4-17-13(10)14(11)18-5-2-7-19-8-6-18/h1,3-4,9H,2,5-8,16H2
InChIKeyAWZUTOXOGXZFHA-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.18
Rot. Bonds1

About 7-fluoro-8-(1,4-oxazepan-4-yl)quinolin-5-amine

7-fluoro-8-(1,4-oxazepan-4-yl)quinolin-5-amine (PubChem CID 83164110) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 7-fluoro-8-(1,4-oxazepan-4-yl)quinolin-5-amine.

Molecular Properties

Compound Name7-fluoro-8-(1,4-oxazepan-4-yl)quinolin-5-amine
PubChem CID83164110
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name7-fluoro-8-(1,4-oxazepan-4-yl)quinolin-5-amine
SMILESNc1cc(F)c(N2CCCOCC2)c2ncccc12
InChIInChI=1S/C14H16FN3O/c15-11-9-12(16)10-3-1-4-17-13(10)14(11)18-5-2-7-19-8-6-18/h1,3-4,9H,2,5-8,16H2
InChIKeyAWZUTOXOGXZFHA-UHFFFAOYSA-N
XLogP2.18
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-(1,4-oxazepan-4-yl)quinolin-5-amine?
The IUPAC name of 7-fluoro-8-(1,4-oxazepan-4-yl)quinolin-5-amine (CID 83164110) is 7-fluoro-8-(1,4-oxazepan-4-yl)quinolin-5-amine.
What is the SMILES notation for 7-fluoro-8-(1,4-oxazepan-4-yl)quinolin-5-amine?
The canonical SMILES for 7-fluoro-8-(1,4-oxazepan-4-yl)quinolin-5-amine is Nc1cc(F)c(N2CCCOCC2)c2ncccc12.
What is the InChIKey of 7-fluoro-8-(1,4-oxazepan-4-yl)quinolin-5-amine?
The InChIKey is AWZUTOXOGXZFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-11-9-12(16)10-3-1-4-17-13(10)14(11)18-5-2-7-19-8-6-18/h1,3-4,9H,2,5-8,16H2.
What are the key properties of 7-fluoro-8-(1,4-oxazepan-4-yl)quinolin-5-amine?
7-fluoro-8-(1,4-oxazepan-4-yl)quinolin-5-amine has a molecular weight of 261.30 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-(1,4-oxazepan-4-yl)quinolin-5-amine is sourced from PubChem (CID 83164110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).