2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one

C14H12F3NO2 — CID 63357998

IUPAC2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one
SMILESO=c1cc(C2CC2)[nH]c2ccc(OCC(F)(F)F)cc12
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)7-20-9-3-4-11-10(5-9)13(19)6-12(18-11)8-1-2-8/h3-6,8H,1-2,7H2,(H,18,19)
InChIKeyGRSOXZBHBTZOOW-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.35
Rot. Bonds3

About 2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one

2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one (PubChem CID 63357998) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one
PubChem CID63357998
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one
SMILESO=c1cc(C2CC2)[nH]c2ccc(OCC(F)(F)F)cc12
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)7-20-9-3-4-11-10(5-9)13(19)6-12(18-11)8-1-2-8/h3-6,8H,1-2,7H2,(H,18,19)
InChIKeyGRSOXZBHBTZOOW-UHFFFAOYSA-N
XLogP3.35
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 622180
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CID 2775104
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CID 2775106
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CID 124348
CID 124348
CID 407032
CID 407032
CID 730934
CID 730934
CID 316987
CID 316987
CID 2775107
CID 2775107
CID 3217688
CID 3217688
CID 253309
CID 253309
CID 308133
CID 308133
CID 723202
CID 723202

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one?
The IUPAC name of 2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one (CID 63357998) is 2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one.
What is the SMILES notation for 2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one?
The canonical SMILES for 2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one is O=c1cc(C2CC2)[nH]c2ccc(OCC(F)(F)F)cc12.
What is the InChIKey of 2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one?
The InChIKey is GRSOXZBHBTZOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c15-14(16,17)7-20-9-3-4-11-10(5-9)13(19)6-12(18-11)8-1-2-8/h3-6,8H,1-2,7H2,(H,18,19).
What are the key properties of 2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one?
2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one has a molecular weight of 283.25 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one is sourced from PubChem (CID 63357998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).