(2-cinnolin-4-yloxy-6-fluorophenyl)methanamine

C15H12FN3O — CID 63586767

IUPAC(2-cinnolin-4-yloxy-6-fluorophenyl)methanamine
SMILESNCc1c(F)cccc1Oc1cnnc2ccccc12
InChIInChI=1S/C15H12FN3O/c16-12-5-3-7-14(11(12)8-17)20-15-9-18-19-13-6-2-1-4-10(13)15/h1-7,9H,8,17H2
InChIKeyAQPWSVBBQOWNFU-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.02
Rot. Bonds3

About (2-cinnolin-4-yloxy-6-fluorophenyl)methanamine

(2-cinnolin-4-yloxy-6-fluorophenyl)methanamine (PubChem CID 63586767) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is (2-cinnolin-4-yloxy-6-fluorophenyl)methanamine.

Molecular Properties

Compound Name(2-cinnolin-4-yloxy-6-fluorophenyl)methanamine
PubChem CID63586767
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name(2-cinnolin-4-yloxy-6-fluorophenyl)methanamine
SMILESNCc1c(F)cccc1Oc1cnnc2ccccc12
InChIInChI=1S/C15H12FN3O/c16-12-5-3-7-14(11(12)8-17)20-15-9-18-19-13-6-2-1-4-10(13)15/h1-7,9H,8,17H2
InChIKeyAQPWSVBBQOWNFU-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 (2-cinnolin-4-yloxy-6-fluorophenyl)methanamine?
The IUPAC name of (2-cinnolin-4-yloxy-6-fluorophenyl)methanamine (CID 63586767) is (2-cinnolin-4-yloxy-6-fluorophenyl)methanamine.
What is the SMILES notation for (2-cinnolin-4-yloxy-6-fluorophenyl)methanamine?
The canonical SMILES for (2-cinnolin-4-yloxy-6-fluorophenyl)methanamine is NCc1c(F)cccc1Oc1cnnc2ccccc12.
What is the InChIKey of (2-cinnolin-4-yloxy-6-fluorophenyl)methanamine?
The InChIKey is AQPWSVBBQOWNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-12-5-3-7-14(11(12)8-17)20-15-9-18-19-13-6-2-1-4-10(13)15/h1-7,9H,8,17H2.
What are the key properties of (2-cinnolin-4-yloxy-6-fluorophenyl)methanamine?
(2-cinnolin-4-yloxy-6-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 (2-cinnolin-4-yloxy-6-fluorophenyl)methanamine is sourced from PubChem (CID 63586767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).