4-methoxy-7-(trifluoromethyl)quinoline;7-(trifluoromethyl)-1H-quinolin-4-one

C21H14F6N2O2 — CID 160718502

IUPAC4-methoxy-7-(trifluoromethyl)quinoline;7-(trifluoromethyl)-1H-quinolin-4-one
SMILESCOc1ccnc2cc(C(F)(F)F)ccc12.O=c1cc[nH]c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C11H8F3NO.C10H6F3NO/c1-16-10-4-5-15-9-6-7(11(12,13)14)2-3-8(9)10;11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h2-6H,1H3;1-5H,(H,14,15)
InChIKeyRSUBVKDNRPGENQ-UHFFFAOYSA-N
MW440.34 g/mol
LogP5.81
Rot. Bonds1

About 4-methoxy-7-(trifluoromethyl)quinoline;7-(trifluoromethyl)-1H-quinolin-4-one

4-methoxy-7-(trifluoromethyl)quinoline;7-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 160718502) has the molecular formula C21H14F6N2O2 and a molecular weight of 440.34 g/mol. Its IUPAC name is 4-methoxy-7-(trifluoromethyl)quinoline;7-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name4-methoxy-7-(trifluoromethyl)quinoline;7-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID160718502
Molecular FormulaC21H14F6N2O2
Molecular Weight440.34 g/mol
Exact Mass440.10
IUPAC Name4-methoxy-7-(trifluoromethyl)quinoline;7-(trifluoromethyl)-1H-quinolin-4-one
SMILESCOc1ccnc2cc(C(F)(F)F)ccc12.O=c1cc[nH]c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C11H8F3NO.C10H6F3NO/c1-16-10-4-5-15-9-6-7(11(12,13)14)2-3-8(9)10;11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h2-6H,1H3;1-5H,(H,14,15)
InChIKeyRSUBVKDNRPGENQ-UHFFFAOYSA-N
XLogP5.81
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.34
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-1H-quinolin-4-one
CID 169108089
2-methoxy-5-[7-(trifluoromethyl)quinolin-4-yl]phenol
CID 66558958
(3,4-dimethoxy-2-pyridinyl)-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanethiol
CID 57111534
tert-butyl N-[2-[7-(trifluoromethyl)quinolin-4-yl]oxyethyl]carbamate
CID 142503862
4,7-dimethoxyquinoline
CID 20743716
3-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one
CID 69022654
[1-amino-2-[7-(trifluoromethyl)quinolin-4-yl]oxyethyl] 2,2,2-trifluoroacetate
CID 137368021
N-[2-methoxy-5-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]acetamide
CID 133400854
5-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
CID 169178050
7-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1H-quinolin-4-one
CID 157063350
4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-quinoline-7-carboxamide
CID 89310509
cyclohexane;methanethiol;7-methoxy-1H-quinolin-4-one
CID 157041036

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-(trifluoromethyl)quinoline;7-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 4-methoxy-7-(trifluoromethyl)quinoline;7-(trifluoromethyl)-1H-quinolin-4-one (CID 160718502) is 4-methoxy-7-(trifluoromethyl)quinoline;7-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 4-methoxy-7-(trifluoromethyl)quinoline;7-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 4-methoxy-7-(trifluoromethyl)quinoline;7-(trifluoromethyl)-1H-quinolin-4-one is COc1ccnc2cc(C(F)(F)F)ccc12.O=c1cc[nH]c2cc(C(F)(F)F)ccc12.
What is the InChIKey of 4-methoxy-7-(trifluoromethyl)quinoline;7-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is RSUBVKDNRPGENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO.C10H6F3NO/c1-16-10-4-5-15-9-6-7(11(12,13)14)2-3-8(9)10;11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h2-6H,1H3;1-5H,(H,14,15).
What are the key properties of 4-methoxy-7-(trifluoromethyl)quinoline;7-(trifluoromethyl)-1H-quinolin-4-one?
4-methoxy-7-(trifluoromethyl)quinoline;7-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 440.34 g/mol, XLogP of 5.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-(trifluoromethyl)quinoline;7-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 160718502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).