1-[[4-(trifluoromethyl)thiophen-2-yl]methyl]quinolin-4-one

C15H10F3NOS — CID 166336804

IUPAC1-[[4-(trifluoromethyl)thiophen-2-yl]methyl]quinolin-4-one
SMILESO=c1ccn(Cc2cc(C(F)(F)F)cs2)c2ccccc12
InChIInChI=1S/C15H10F3NOS/c16-15(17,18)10-7-11(21-9-10)8-19-6-5-14(20)12-3-1-2-4-13(12)19/h1-7,9H,8H2
InChIKeyDYVFLIOWNHOIOO-UHFFFAOYSA-N
MW309.31 g/mol
LogP4.13
Rot. Bonds2

About 1-[[4-(trifluoromethyl)thiophen-2-yl]methyl]quinolin-4-one

1-[[4-(trifluoromethyl)thiophen-2-yl]methyl]quinolin-4-one (PubChem CID 166336804) has the molecular formula C15H10F3NOS and a molecular weight of 309.31 g/mol. Its IUPAC name is 1-[[4-(trifluoromethyl)thiophen-2-yl]methyl]quinolin-4-one.

Molecular Properties

Compound Name1-[[4-(trifluoromethyl)thiophen-2-yl]methyl]quinolin-4-one
PubChem CID166336804
Molecular FormulaC15H10F3NOS
Molecular Weight309.31 g/mol
Exact Mass309.04
IUPAC Name1-[[4-(trifluoromethyl)thiophen-2-yl]methyl]quinolin-4-one
SMILESO=c1ccn(Cc2cc(C(F)(F)F)cs2)c2ccccc12
InChIInChI=1S/C15H10F3NOS/c16-15(17,18)10-7-11(21-9-10)8-19-6-5-14(20)12-3-1-2-4-13(12)19/h1-7,9H,8H2
InChIKeyDYVFLIOWNHOIOO-UHFFFAOYSA-N
XLogP4.13
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinolin-4-one
CID 71969968
1-(trifluoromethyl)quinolin-4-one
CID 91004636
1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one
CID 62024225
1-[2-hydroxy-4-methyl-4-thiophen-2-yl-2-(trifluoromethyl)pentyl]quinolin-4-one
CID 11741389
1-[(5-bromo-2-pyridinyl)methyl]quinolin-4-one
CID 104809188
3-(4-oxoquinolin-1-yl)propanoic acid
CID 53264528
1-[[2-(methylamino)-4-pyridinyl]methyl]quinolin-4-one
CID 62465636
3-[4-oxo-6-(trifluoromethyl)quinolin-1-yl]propanoic acid
CID 53264281
1-[[4-(trifluoromethyl)phenyl]methyl]indole-4-carbaldehyde
CID 11044881
3-(4-oxoquinolin-1-yl)propanamide
CID 53264488
1-(2-piperidin-1-ylethyl)quinolin-4-one
CID 141163131
1-[2-(3-methylanilino)ethyl]quinolin-4-one
CID 62565332

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethyl)thiophen-2-yl]methyl]quinolin-4-one?
The IUPAC name of 1-[[4-(trifluoromethyl)thiophen-2-yl]methyl]quinolin-4-one (CID 166336804) is 1-[[4-(trifluoromethyl)thiophen-2-yl]methyl]quinolin-4-one.
What is the SMILES notation for 1-[[4-(trifluoromethyl)thiophen-2-yl]methyl]quinolin-4-one?
The canonical SMILES for 1-[[4-(trifluoromethyl)thiophen-2-yl]methyl]quinolin-4-one is O=c1ccn(Cc2cc(C(F)(F)F)cs2)c2ccccc12.
What is the InChIKey of 1-[[4-(trifluoromethyl)thiophen-2-yl]methyl]quinolin-4-one?
The InChIKey is DYVFLIOWNHOIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NOS/c16-15(17,18)10-7-11(21-9-10)8-19-6-5-14(20)12-3-1-2-4-13(12)19/h1-7,9H,8H2.
What are the key properties of 1-[[4-(trifluoromethyl)thiophen-2-yl]methyl]quinolin-4-one?
1-[[4-(trifluoromethyl)thiophen-2-yl]methyl]quinolin-4-one has a molecular weight of 309.31 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethyl)thiophen-2-yl]methyl]quinolin-4-one is sourced from PubChem (CID 166336804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).