(4-cinnolin-4-yloxy-3-fluorophenyl)methanamine

C15H12FN3O — CID 107667255

IUPAC(4-cinnolin-4-yloxy-3-fluorophenyl)methanamine
SMILESNCc1ccc(Oc2cnnc3ccccc23)c(F)c1
InChIInChI=1S/C15H12FN3O/c16-12-7-10(8-17)5-6-14(12)20-15-9-18-19-13-4-2-1-3-11(13)15/h1-7,9H,8,17H2
InChIKeyYCOMYSPPFNLCEB-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.02
Rot. Bonds3

About (4-cinnolin-4-yloxy-3-fluorophenyl)methanamine

(4-cinnolin-4-yloxy-3-fluorophenyl)methanamine (PubChem CID 107667255) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is (4-cinnolin-4-yloxy-3-fluorophenyl)methanamine.

Molecular Properties

Compound Name(4-cinnolin-4-yloxy-3-fluorophenyl)methanamine
PubChem CID107667255
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name(4-cinnolin-4-yloxy-3-fluorophenyl)methanamine
SMILESNCc1ccc(Oc2cnnc3ccccc23)c(F)c1
InChIInChI=1S/C15H12FN3O/c16-12-7-10(8-17)5-6-14(12)20-15-9-18-19-13-4-2-1-3-11(13)15/h1-7,9H,8,17H2
InChIKeyYCOMYSPPFNLCEB-UHFFFAOYSA-N
XLogP3.02
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cinnolin-4-yloxy-3-fluorophenyl)methanamine?
The IUPAC name of (4-cinnolin-4-yloxy-3-fluorophenyl)methanamine (CID 107667255) is (4-cinnolin-4-yloxy-3-fluorophenyl)methanamine.
What is the SMILES notation for (4-cinnolin-4-yloxy-3-fluorophenyl)methanamine?
The canonical SMILES for (4-cinnolin-4-yloxy-3-fluorophenyl)methanamine is NCc1ccc(Oc2cnnc3ccccc23)c(F)c1.
What is the InChIKey of (4-cinnolin-4-yloxy-3-fluorophenyl)methanamine?
The InChIKey is YCOMYSPPFNLCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-12-7-10(8-17)5-6-14(12)20-15-9-18-19-13-4-2-1-3-11(13)15/h1-7,9H,8,17H2.
What are the key properties of (4-cinnolin-4-yloxy-3-fluorophenyl)methanamine?
(4-cinnolin-4-yloxy-3-fluorophenyl)methanamine has a molecular weight of 269.28 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cinnolin-4-yloxy-3-fluorophenyl)methanamine is sourced from PubChem (CID 107667255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).