2-(2-methyldiazetidin-1-yl)-6-(trifluoromethoxy)quinoline

C13H12F3N3O — CID 142873912

IUPAC2-(2-methyldiazetidin-1-yl)-6-(trifluoromethoxy)quinoline
SMILESCN1CCN1c1ccc2cc(OC(F)(F)F)ccc2n1
InChIInChI=1S/C13H12F3N3O/c1-18-6-7-19(18)12-5-2-9-8-10(20-13(14,15)16)3-4-11(9)17-12/h2-5,8H,6-7H2,1H3
InChIKeyKCFUIWZEGZNEPL-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.80
Rot. Bonds2

About 2-(2-methyldiazetidin-1-yl)-6-(trifluoromethoxy)quinoline

2-(2-methyldiazetidin-1-yl)-6-(trifluoromethoxy)quinoline (PubChem CID 142873912) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-(2-methyldiazetidin-1-yl)-6-(trifluoromethoxy)quinoline.

Molecular Properties

Compound Name2-(2-methyldiazetidin-1-yl)-6-(trifluoromethoxy)quinoline
PubChem CID142873912
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name2-(2-methyldiazetidin-1-yl)-6-(trifluoromethoxy)quinoline
SMILESCN1CCN1c1ccc2cc(OC(F)(F)F)ccc2n1
InChIInChI=1S/C13H12F3N3O/c1-18-6-7-19(18)12-5-2-9-8-10(20-13(14,15)16)3-4-11(9)17-12/h2-5,8H,6-7H2,1H3
InChIKeyKCFUIWZEGZNEPL-UHFFFAOYSA-N
XLogP2.80
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-piperidin-1-ylquinoline
CID 143398989
[3-methyl-6-(trifluoromethoxy)quinolin-2-yl]methanamine
CID 82245488
2-bromo-6-(trifluoromethoxy)naphthalene
CID 57429270
1-methyl-5-(trifluoromethoxy)benzimidazol-2-amine
CID 69449777
3-ethyl-6-(trifluoromethoxy)quinoline
CID 163899089
2-methyl-5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3,4-oxadiazole
CID 167796668
N-[6-(trifluoromethoxy)quinolin-2-yl]-1,4-dithiane-2-carboxamide
CID 166340067
2-bromo-7-(trifluoromethoxy)naphthalene
CID 57429269
2-bromo-6-(trifluoromethoxy)indazole
CID 150469832
2-(pyrimidin-4-ylmethoxy)-6-(trifluoromethoxy)quinoline
CID 167743039
1-methyl-5-(trifluoromethoxy)-2-benzofuran
CID 174850937
2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride
CID 11302721

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyldiazetidin-1-yl)-6-(trifluoromethoxy)quinoline?
The IUPAC name of 2-(2-methyldiazetidin-1-yl)-6-(trifluoromethoxy)quinoline (CID 142873912) is 2-(2-methyldiazetidin-1-yl)-6-(trifluoromethoxy)quinoline.
What is the SMILES notation for 2-(2-methyldiazetidin-1-yl)-6-(trifluoromethoxy)quinoline?
The canonical SMILES for 2-(2-methyldiazetidin-1-yl)-6-(trifluoromethoxy)quinoline is CN1CCN1c1ccc2cc(OC(F)(F)F)ccc2n1.
What is the InChIKey of 2-(2-methyldiazetidin-1-yl)-6-(trifluoromethoxy)quinoline?
The InChIKey is KCFUIWZEGZNEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-18-6-7-19(18)12-5-2-9-8-10(20-13(14,15)16)3-4-11(9)17-12/h2-5,8H,6-7H2,1H3.
What are the key properties of 2-(2-methyldiazetidin-1-yl)-6-(trifluoromethoxy)quinoline?
2-(2-methyldiazetidin-1-yl)-6-(trifluoromethoxy)quinoline has a molecular weight of 283.25 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyldiazetidin-1-yl)-6-(trifluoromethoxy)quinoline is sourced from PubChem (CID 142873912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).