2-(difluoromethyl)-6-phenoxyquinolin-4-amine

C16H12F2N2O — CID 62891595

IUPAC2-(difluoromethyl)-6-phenoxyquinolin-4-amine
SMILESNc1cc(C(F)F)nc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C16H12F2N2O/c17-16(18)15-9-13(19)12-8-11(6-7-14(12)20-15)21-10-4-2-1-3-5-10/h1-9,16H,(H2,19,20)
InChIKeyKUQDNLZPKSXEKE-UHFFFAOYSA-N
MW286.28 g/mol
LogP4.55
Rot. Bonds3

About 2-(difluoromethyl)-6-phenoxyquinolin-4-amine

2-(difluoromethyl)-6-phenoxyquinolin-4-amine (PubChem CID 62891595) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-phenoxyquinolin-4-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-6-phenoxyquinolin-4-amine
PubChem CID62891595
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name2-(difluoromethyl)-6-phenoxyquinolin-4-amine
SMILESNc1cc(C(F)F)nc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C16H12F2N2O/c17-16(18)15-9-13(19)12-8-11(6-7-14(12)20-15)21-10-4-2-1-3-5-10/h1-9,16H,(H2,19,20)
InChIKeyKUQDNLZPKSXEKE-UHFFFAOYSA-N
XLogP4.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-phenoxyquinolin-4-amine?
The IUPAC name of 2-(difluoromethyl)-6-phenoxyquinolin-4-amine (CID 62891595) is 2-(difluoromethyl)-6-phenoxyquinolin-4-amine.
What is the SMILES notation for 2-(difluoromethyl)-6-phenoxyquinolin-4-amine?
The canonical SMILES for 2-(difluoromethyl)-6-phenoxyquinolin-4-amine is Nc1cc(C(F)F)nc2ccc(Oc3ccccc3)cc12.
What is the InChIKey of 2-(difluoromethyl)-6-phenoxyquinolin-4-amine?
The InChIKey is KUQDNLZPKSXEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c17-16(18)15-9-13(19)12-8-11(6-7-14(12)20-15)21-10-4-2-1-3-5-10/h1-9,16H,(H2,19,20).
What are the key properties of 2-(difluoromethyl)-6-phenoxyquinolin-4-amine?
2-(difluoromethyl)-6-phenoxyquinolin-4-amine has a molecular weight of 286.28 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-phenoxyquinolin-4-amine is sourced from PubChem (CID 62891595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).