N-[3-[2-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine

C19H15F3N2O — CID 177346231

IUPACN-[3-[2-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine
SMILESFC(F)(F)c1ccccc1C1(Nc2ccc3cccnc3c2)COC1
InChIInChI=1S/C19H15F3N2O/c20-19(21,22)16-6-2-1-5-15(16)18(11-25-12-18)24-14-8-7-13-4-3-9-23-17(13)10-14/h1-10,24H,11-12H2
InChIKeyBZWUPQRQYIHVQP-UHFFFAOYSA-N
MW344.34 g/mol
LogP4.59
Rot. Bonds3

About N-[3-[2-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine

N-[3-[2-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine (PubChem CID 177346231) has the molecular formula C19H15F3N2O and a molecular weight of 344.34 g/mol. Its IUPAC name is N-[3-[2-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine.

Molecular Properties

Compound NameN-[3-[2-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine
PubChem CID177346231
Molecular FormulaC19H15F3N2O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC NameN-[3-[2-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine
SMILESFC(F)(F)c1ccccc1C1(Nc2ccc3cccnc3c2)COC1
InChIInChI=1S/C19H15F3N2O/c20-19(21,22)16-6-2-1-5-15(16)18(11-25-12-18)24-14-8-7-13-4-3-9-23-17(13)10-14/h1-10,24H,11-12H2
InChIKeyBZWUPQRQYIHVQP-UHFFFAOYSA-N
XLogP4.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-methyl-3-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine
CID 177346406
N-[3-(3-chloro-2-methylphenyl)thietan-3-yl]quinolin-7-amine
CID 177346190
oxirane;quinoline
CID 157282028
1,4-dioxane;quinoline
CID 67077004
CID 174859636
CID 174859636
6-bromo-7-(trifluoromethyl)quinoline
CID 91659035
6-(trifluoromethyl)quinolin-7-ol
CID 137241285
quinoline
CID 76974643
N-[3-chloro-4-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 162607907
N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 142343699
hydron;N-quinolin-7-ylformamide
CID 174867438
3,3-dimethyl-1-quinolin-7-yl-5-(trifluoromethyl)-4H-isoquinoline
CID 135153240

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine?
The IUPAC name of N-[3-[2-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine (CID 177346231) is N-[3-[2-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine.
What is the SMILES notation for N-[3-[2-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine?
The canonical SMILES for N-[3-[2-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine is FC(F)(F)c1ccccc1C1(Nc2ccc3cccnc3c2)COC1.
What is the InChIKey of N-[3-[2-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine?
The InChIKey is BZWUPQRQYIHVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O/c20-19(21,22)16-6-2-1-5-15(16)18(11-25-12-18)24-14-8-7-13-4-3-9-23-17(13)10-14/h1-10,24H,11-12H2.
What are the key properties of N-[3-[2-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine?
N-[3-[2-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine has a molecular weight of 344.34 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine is sourced from PubChem (CID 177346231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).