6,8-dichloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinolin-2-amine

C16H8Cl2F2N2O2 — CID 166139075

IUPAC6,8-dichloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinolin-2-amine
SMILESFC1(F)Oc2ccc(Nc3ccc4cc(Cl)cc(Cl)c4n3)cc2O1
InChIInChI=1S/C16H8Cl2F2N2O2/c17-9-5-8-1-4-14(22-15(8)11(18)6-9)21-10-2-3-12-13(7-10)24-16(19,20)23-12/h1-7H,(H,21,22)
InChIKeyRCIGEQXKNYPNBJ-UHFFFAOYSA-N
MW369.15 g/mol
LogP5.61
Rot. Bonds2

About 6,8-dichloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinolin-2-amine

6,8-dichloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinolin-2-amine (PubChem CID 166139075) has the molecular formula C16H8Cl2F2N2O2 and a molecular weight of 369.15 g/mol. Its IUPAC name is 6,8-dichloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinolin-2-amine.

Molecular Properties

Compound Name6,8-dichloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinolin-2-amine
PubChem CID166139075
Molecular FormulaC16H8Cl2F2N2O2
Molecular Weight369.15 g/mol
Exact Mass367.99
IUPAC Name6,8-dichloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinolin-2-amine
SMILESFC1(F)Oc2ccc(Nc3ccc4cc(Cl)cc(Cl)c4n3)cc2O1
InChIInChI=1S/C16H8Cl2F2N2O2/c17-9-5-8-1-4-14(22-15(8)11(18)6-9)21-10-2-3-12-13(7-10)24-16(19,20)23-12/h1-7H,(H,21,22)
InChIKeyRCIGEQXKNYPNBJ-UHFFFAOYSA-N
XLogP5.61
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.15
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,8-dichloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinolin-2-amine?
The IUPAC name of 6,8-dichloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinolin-2-amine (CID 166139075) is 6,8-dichloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinolin-2-amine.
What is the SMILES notation for 6,8-dichloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinolin-2-amine?
The canonical SMILES for 6,8-dichloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinolin-2-amine is FC1(F)Oc2ccc(Nc3ccc4cc(Cl)cc(Cl)c4n3)cc2O1.
What is the InChIKey of 6,8-dichloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinolin-2-amine?
The InChIKey is RCIGEQXKNYPNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2F2N2O2/c17-9-5-8-1-4-14(22-15(8)11(18)6-9)21-10-2-3-12-13(7-10)24-16(19,20)23-12/h1-7H,(H,21,22).
What are the key properties of 6,8-dichloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinolin-2-amine?
6,8-dichloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinolin-2-amine has a molecular weight of 369.15 g/mol, XLogP of 5.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinolin-2-amine is sourced from PubChem (CID 166139075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).