N,8-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine

C14H13F3N2O2 — CID 63744415

IUPACN,8-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine
SMILESCNc1c(C)c(C(F)(F)F)nc2cc3c(cc12)OCCO3
InChIInChI=1S/C14H13F3N2O2/c1-7-12(18-2)8-5-10-11(21-4-3-20-10)6-9(8)19-13(7)14(15,16)17/h5-6H,3-4H2,1-2H3,(H,18,19)
InChIKeyOSYJZXYHTIOXQY-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.37
Rot. Bonds1

About N,8-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine

N,8-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine (PubChem CID 63744415) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is N,8-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine.

Molecular Properties

Compound NameN,8-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine
PubChem CID63744415
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC NameN,8-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine
SMILESCNc1c(C)c(C(F)(F)F)nc2cc3c(cc12)OCCO3
InChIInChI=1S/C14H13F3N2O2/c1-7-12(18-2)8-5-10-11(21-4-3-20-10)6-9(8)19-13(7)14(15,16)17/h5-6H,3-4H2,1-2H3,(H,18,19)
InChIKeyOSYJZXYHTIOXQY-UHFFFAOYSA-N
XLogP3.37
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine?
The IUPAC name of N,8-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine (CID 63744415) is N,8-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine.
What is the SMILES notation for N,8-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine?
The canonical SMILES for N,8-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine is CNc1c(C)c(C(F)(F)F)nc2cc3c(cc12)OCCO3.
What is the InChIKey of N,8-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine?
The InChIKey is OSYJZXYHTIOXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-7-12(18-2)8-5-10-11(21-4-3-20-10)6-9(8)19-13(7)14(15,16)17/h5-6H,3-4H2,1-2H3,(H,18,19).
What are the key properties of N,8-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine?
N,8-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine has a molecular weight of 298.26 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine is sourced from PubChem (CID 63744415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).