2-(difluoromethyl)-N,5,7-trimethylquinolin-4-amine

C13H14F2N2 — CID 62891070

IUPAC2-(difluoromethyl)-N,5,7-trimethylquinolin-4-amine
SMILESCNc1cc(C(F)F)nc2cc(C)cc(C)c12
InChIInChI=1S/C13H14F2N2/c1-7-4-8(2)12-9(16-3)6-11(13(14)15)17-10(12)5-7/h4-6,13H,1-3H3,(H,16,17)
InChIKeyZQQKFCYOCVWQEO-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.83
Rot. Bonds2

About 2-(difluoromethyl)-N,5,7-trimethylquinolin-4-amine

2-(difluoromethyl)-N,5,7-trimethylquinolin-4-amine (PubChem CID 62891070) has the molecular formula C13H14F2N2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-(difluoromethyl)-N,5,7-trimethylquinolin-4-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-N,5,7-trimethylquinolin-4-amine
PubChem CID62891070
Molecular FormulaC13H14F2N2
Molecular Weight236.26 g/mol
Exact Mass236.11
IUPAC Name2-(difluoromethyl)-N,5,7-trimethylquinolin-4-amine
SMILESCNc1cc(C(F)F)nc2cc(C)cc(C)c12
InChIInChI=1S/C13H14F2N2/c1-7-4-8(2)12-9(16-3)6-11(13(14)15)17-10(12)5-7/h4-6,13H,1-3H3,(H,16,17)
InChIKeyZQQKFCYOCVWQEO-UHFFFAOYSA-N
XLogP3.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N,5,7-trimethylquinolin-4-amine?
The IUPAC name of 2-(difluoromethyl)-N,5,7-trimethylquinolin-4-amine (CID 62891070) is 2-(difluoromethyl)-N,5,7-trimethylquinolin-4-amine.
What is the SMILES notation for 2-(difluoromethyl)-N,5,7-trimethylquinolin-4-amine?
The canonical SMILES for 2-(difluoromethyl)-N,5,7-trimethylquinolin-4-amine is CNc1cc(C(F)F)nc2cc(C)cc(C)c12.
What is the InChIKey of 2-(difluoromethyl)-N,5,7-trimethylquinolin-4-amine?
The InChIKey is ZQQKFCYOCVWQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2/c1-7-4-8(2)12-9(16-3)6-11(13(14)15)17-10(12)5-7/h4-6,13H,1-3H3,(H,16,17).
What are the key properties of 2-(difluoromethyl)-N,5,7-trimethylquinolin-4-amine?
2-(difluoromethyl)-N,5,7-trimethylquinolin-4-amine has a molecular weight of 236.26 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N,5,7-trimethylquinolin-4-amine is sourced from PubChem (CID 62891070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).