7-(difluoromethyl)-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine

C13H12F2N2O2 — CID 62892094

IUPAC7-(difluoromethyl)-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine
SMILESCNc1cc(C(F)F)nc2cc3c(cc12)OCCO3
InChIInChI=1S/C13H12F2N2O2/c1-16-8-5-10(13(14)15)17-9-6-12-11(4-7(8)9)18-2-3-19-12/h4-6,13H,2-3H2,1H3,(H,16,17)
InChIKeyUTCSXNGMJDCUDK-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.99
Rot. Bonds2

About 7-(difluoromethyl)-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine

7-(difluoromethyl)-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine (PubChem CID 62892094) has the molecular formula C13H12F2N2O2 and a molecular weight of 266.25 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine.

Molecular Properties

Compound Name7-(difluoromethyl)-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine
PubChem CID62892094
Molecular FormulaC13H12F2N2O2
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name7-(difluoromethyl)-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine
SMILESCNc1cc(C(F)F)nc2cc3c(cc12)OCCO3
InChIInChI=1S/C13H12F2N2O2/c1-16-8-5-10(13(14)15)17-9-6-12-11(4-7(8)9)18-2-3-19-12/h4-6,13H,2-3H2,1H3,(H,16,17)
InChIKeyUTCSXNGMJDCUDK-UHFFFAOYSA-N
XLogP2.99
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine?
The IUPAC name of 7-(difluoromethyl)-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine (CID 62892094) is 7-(difluoromethyl)-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine.
What is the SMILES notation for 7-(difluoromethyl)-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine?
The canonical SMILES for 7-(difluoromethyl)-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine is CNc1cc(C(F)F)nc2cc3c(cc12)OCCO3.
What is the InChIKey of 7-(difluoromethyl)-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine?
The InChIKey is UTCSXNGMJDCUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2/c1-16-8-5-10(13(14)15)17-9-6-12-11(4-7(8)9)18-2-3-19-12/h4-6,13H,2-3H2,1H3,(H,16,17).
What are the key properties of 7-(difluoromethyl)-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine?
7-(difluoromethyl)-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine has a molecular weight of 266.25 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine is sourced from PubChem (CID 62892094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).