3-(5-amino-7-fluoroquinolin-8-yl)oxybenzonitrile

C16H10FN3O — CID 83165691

IUPAC3-(5-amino-7-fluoroquinolin-8-yl)oxybenzonitrile
SMILESN#Cc1cccc(Oc2c(F)cc(N)c3cccnc23)c1
InChIInChI=1S/C16H10FN3O/c17-13-8-14(19)12-5-2-6-20-15(12)16(13)21-11-4-1-3-10(7-11)9-18/h1-8H,19H2
InChIKeyQJLKJYVIHAJPRQ-UHFFFAOYSA-N
MW279.27 g/mol
LogP3.62
Rot. Bonds2

About 3-(5-amino-7-fluoroquinolin-8-yl)oxybenzonitrile

3-(5-amino-7-fluoroquinolin-8-yl)oxybenzonitrile (PubChem CID 83165691) has the molecular formula C16H10FN3O and a molecular weight of 279.27 g/mol. Its IUPAC name is 3-(5-amino-7-fluoroquinolin-8-yl)oxybenzonitrile.

Molecular Properties

Compound Name3-(5-amino-7-fluoroquinolin-8-yl)oxybenzonitrile
PubChem CID83165691
Molecular FormulaC16H10FN3O
Molecular Weight279.27 g/mol
Exact Mass279.08
IUPAC Name3-(5-amino-7-fluoroquinolin-8-yl)oxybenzonitrile
SMILESN#Cc1cccc(Oc2c(F)cc(N)c3cccnc23)c1
InChIInChI=1S/C16H10FN3O/c17-13-8-14(19)12-5-2-6-20-15(12)16(13)21-11-4-1-3-10(7-11)9-18/h1-8H,19H2
InChIKeyQJLKJYVIHAJPRQ-UHFFFAOYSA-N
XLogP3.62
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 53.62
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 3-(5-amino-7-fluoroquinolin-8-yl)oxybenzonitrile?
The IUPAC name of 3-(5-amino-7-fluoroquinolin-8-yl)oxybenzonitrile (CID 83165691) is 3-(5-amino-7-fluoroquinolin-8-yl)oxybenzonitrile.
What is the SMILES notation for 3-(5-amino-7-fluoroquinolin-8-yl)oxybenzonitrile?
The canonical SMILES for 3-(5-amino-7-fluoroquinolin-8-yl)oxybenzonitrile is N#Cc1cccc(Oc2c(F)cc(N)c3cccnc23)c1.
What is the InChIKey of 3-(5-amino-7-fluoroquinolin-8-yl)oxybenzonitrile?
The InChIKey is QJLKJYVIHAJPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O/c17-13-8-14(19)12-5-2-6-20-15(12)16(13)21-11-4-1-3-10(7-11)9-18/h1-8H,19H2.
What are the key properties of 3-(5-amino-7-fluoroquinolin-8-yl)oxybenzonitrile?
3-(5-amino-7-fluoroquinolin-8-yl)oxybenzonitrile has a molecular weight of 279.27 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-7-fluoroquinolin-8-yl)oxybenzonitrile is sourced from PubChem (CID 83165691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).