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

C20H17F3N2O — CID 177346406

IUPACN-[3-[2-methyl-3-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine
SMILESCc1c(C(F)(F)F)cccc1C1(Nc2ccc3cccnc3c2)COC1
InChIInChI=1S/C20H17F3N2O/c1-13-16(5-2-6-17(13)20(21,22)23)19(11-26-12-19)25-15-8-7-14-4-3-9-24-18(14)10-15/h2-10,25H,11-12H2,1H3
InChIKeyZHZAZNKRWWEKMG-UHFFFAOYSA-N
MW358.36 g/mol
LogP4.90
Rot. Bonds3

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

N-[3-[2-methyl-3-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine (PubChem CID 177346406) has the molecular formula C20H17F3N2O and a molecular weight of 358.36 g/mol. Its IUPAC name is N-[3-[2-methyl-3-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine.

Molecular Properties

Compound NameN-[3-[2-methyl-3-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine
PubChem CID177346406
Molecular FormulaC20H17F3N2O
Molecular Weight358.36 g/mol
Exact Mass358.13
IUPAC NameN-[3-[2-methyl-3-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine
SMILESCc1c(C(F)(F)F)cccc1C1(Nc2ccc3cccnc3c2)COC1
InChIInChI=1S/C20H17F3N2O/c1-13-16(5-2-6-17(13)20(21,22)23)19(11-26-12-19)25-15-8-7-14-4-3-9-24-18(14)10-15/h2-10,25H,11-12H2,1H3
InChIKeyZHZAZNKRWWEKMG-UHFFFAOYSA-N
XLogP4.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-methyl-3-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine?
The IUPAC name of N-[3-[2-methyl-3-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine (CID 177346406) is N-[3-[2-methyl-3-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine.
What is the SMILES notation for N-[3-[2-methyl-3-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine?
The canonical SMILES for N-[3-[2-methyl-3-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine is Cc1c(C(F)(F)F)cccc1C1(Nc2ccc3cccnc3c2)COC1.
What is the InChIKey of N-[3-[2-methyl-3-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine?
The InChIKey is ZHZAZNKRWWEKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O/c1-13-16(5-2-6-17(13)20(21,22)23)19(11-26-12-19)25-15-8-7-14-4-3-9-24-18(14)10-15/h2-10,25H,11-12H2,1H3.
What are the key properties of N-[3-[2-methyl-3-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine?
N-[3-[2-methyl-3-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine has a molecular weight of 358.36 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-methyl-3-(trifluoromethyl)phenyl]oxetan-3-yl]quinolin-7-amine is sourced from PubChem (CID 177346406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).