5-(aminomethyl)-8-[4-(trifluoromethyl)phenoxy]-1H-quinolin-2-one

C17H13F3N2O2 — CID 135373649

IUPAC5-(aminomethyl)-8-[4-(trifluoromethyl)phenoxy]-1H-quinolin-2-one
SMILESNCc1ccc(Oc2ccc(C(F)(F)F)cc2)c2[nH]c(=O)ccc12
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)11-2-4-12(5-3-11)24-14-7-1-10(9-21)13-6-8-15(23)22-16(13)14/h1-8H,9,21H2,(H,22,23)
InChIKeyNPTUMNCHHYEZCS-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.80
Rot. Bonds3

About 5-(aminomethyl)-8-[4-(trifluoromethyl)phenoxy]-1H-quinolin-2-one

5-(aminomethyl)-8-[4-(trifluoromethyl)phenoxy]-1H-quinolin-2-one (PubChem CID 135373649) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 5-(aminomethyl)-8-[4-(trifluoromethyl)phenoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-8-[4-(trifluoromethyl)phenoxy]-1H-quinolin-2-one
PubChem CID135373649
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name5-(aminomethyl)-8-[4-(trifluoromethyl)phenoxy]-1H-quinolin-2-one
SMILESNCc1ccc(Oc2ccc(C(F)(F)F)cc2)c2[nH]c(=O)ccc12
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)11-2-4-12(5-3-11)24-14-7-1-10(9-21)13-6-8-15(23)22-16(13)14/h1-8H,9,21H2,(H,22,23)
InChIKeyNPTUMNCHHYEZCS-UHFFFAOYSA-N
XLogP3.80
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indol-7-yl]methanamine
CID 174993371
[4-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 114900818
[3-methyl-8-[4-(trifluoromethyl)phenoxy]quinolin-5-yl]methanamine
CID 135373975
[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine
CID 135373987
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 3809622
[2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1,3-benzoxazol-7-yl]methanamine
CID 142503923
N-[1-(2-oxo-1H-quinolin-8-yl)ethylidene]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 165436610
[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 58104277
3-[4-(trifluoromethyl)phenoxy]-1-benzothiophene
CID 177468045
1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene
CID 76546119
7-[4-(trifluoromethyl)phenoxy]-1H-indole
CID 139371868
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 19627404

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-8-[4-(trifluoromethyl)phenoxy]-1H-quinolin-2-one?
The IUPAC name of 5-(aminomethyl)-8-[4-(trifluoromethyl)phenoxy]-1H-quinolin-2-one (CID 135373649) is 5-(aminomethyl)-8-[4-(trifluoromethyl)phenoxy]-1H-quinolin-2-one.
What is the SMILES notation for 5-(aminomethyl)-8-[4-(trifluoromethyl)phenoxy]-1H-quinolin-2-one?
The canonical SMILES for 5-(aminomethyl)-8-[4-(trifluoromethyl)phenoxy]-1H-quinolin-2-one is NCc1ccc(Oc2ccc(C(F)(F)F)cc2)c2[nH]c(=O)ccc12.
What is the InChIKey of 5-(aminomethyl)-8-[4-(trifluoromethyl)phenoxy]-1H-quinolin-2-one?
The InChIKey is NPTUMNCHHYEZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-17(19,20)11-2-4-12(5-3-11)24-14-7-1-10(9-21)13-6-8-15(23)22-16(13)14/h1-8H,9,21H2,(H,22,23).
What are the key properties of 5-(aminomethyl)-8-[4-(trifluoromethyl)phenoxy]-1H-quinolin-2-one?
5-(aminomethyl)-8-[4-(trifluoromethyl)phenoxy]-1H-quinolin-2-one has a molecular weight of 334.30 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-8-[4-(trifluoromethyl)phenoxy]-1H-quinolin-2-one is sourced from PubChem (CID 135373649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).