ethane;5-ethyl-8-methoxy-2-(trifluoromethyl)quinoline

C15H18F3NO — CID 143627563

IUPACethane;5-ethyl-8-methoxy-2-(trifluoromethyl)quinoline
SMILESCC.CCc1ccc(OC)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C13H12F3NO.C2H6/c1-3-8-4-6-10(18-2)12-9(8)5-7-11(17-12)13(14,15)16;1-2/h4-7H,3H2,1-2H3;1-2H3
InChIKeySIDCACIEGHBUFE-UHFFFAOYSA-N
MW285.31 g/mol
LogP4.85
Rot. Bonds2

About ethane;5-ethyl-8-methoxy-2-(trifluoromethyl)quinoline

ethane;5-ethyl-8-methoxy-2-(trifluoromethyl)quinoline (PubChem CID 143627563) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is ethane;5-ethyl-8-methoxy-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Nameethane;5-ethyl-8-methoxy-2-(trifluoromethyl)quinoline
PubChem CID143627563
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Nameethane;5-ethyl-8-methoxy-2-(trifluoromethyl)quinoline
SMILESCC.CCc1ccc(OC)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C13H12F3NO.C2H6/c1-3-8-4-6-10(18-2)12-9(8)5-7-11(17-12)13(14,15)16;1-2/h4-7H,3H2,1-2H3;1-2H3
InChIKeySIDCACIEGHBUFE-UHFFFAOYSA-N
XLogP4.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-8-methoxy-2-(trifluoromethyl)quinoline
CID 143627564
1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]propan-1-one
CID 59336016
1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-2-methylpropan-1-one
CID 70886528
2-[[8-methoxy-2-(trifluoromethyl)quinoline-5-carbothioyl]amino]acetic acid
CID 143627567
methyl N-[(E)-4-aminobut-2-en-2-yl]-8-methoxy-2-(trifluoromethyl)quinoline-5-carboximidate
CID 143146723
N-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1-oxidopyridin-1-ium-4-carboxamide
CID 141165278
8-methoxy-2-(trifluoromethyl)quinoline-4-carbonyl chloride
CID 18002690
4-(difluoromethyl)-8-methoxy-2-(trifluoromethyl)quinoline
CID 130247540
8-methoxy-N-(3-methyl-4-pyridinyl)-2-(trifluoromethyl)quinoline-5-carboxamide
CID 90858088
methyl (5S)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 162551203
[4-ethenyl-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-5-yl]methanamine
CID 70328908
5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 143146663

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-8-methoxy-2-(trifluoromethyl)quinoline?
The IUPAC name of ethane;5-ethyl-8-methoxy-2-(trifluoromethyl)quinoline (CID 143627563) is ethane;5-ethyl-8-methoxy-2-(trifluoromethyl)quinoline.
What is the SMILES notation for ethane;5-ethyl-8-methoxy-2-(trifluoromethyl)quinoline?
The canonical SMILES for ethane;5-ethyl-8-methoxy-2-(trifluoromethyl)quinoline is CC.CCc1ccc(OC)c2nc(C(F)(F)F)ccc12.
What is the InChIKey of ethane;5-ethyl-8-methoxy-2-(trifluoromethyl)quinoline?
The InChIKey is SIDCACIEGHBUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO.C2H6/c1-3-8-4-6-10(18-2)12-9(8)5-7-11(17-12)13(14,15)16;1-2/h4-7H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;5-ethyl-8-methoxy-2-(trifluoromethyl)quinoline?
ethane;5-ethyl-8-methoxy-2-(trifluoromethyl)quinoline has a molecular weight of 285.31 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-8-methoxy-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 143627563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).