1-[2-(dimethylamino)ethyl]-7-hydroxy-4-(trifluoromethyl)quinolin-2-one

C14H15F3N2O2 — CID 71036708

IUPAC1-[2-(dimethylamino)ethyl]-7-hydroxy-4-(trifluoromethyl)quinolin-2-one
SMILESCN(C)CCn1c(=O)cc(C(F)(F)F)c2ccc(O)cc21
InChIInChI=1S/C14H15F3N2O2/c1-18(2)5-6-19-12-7-9(20)3-4-10(12)11(8-13(19)21)14(15,16)17/h3-4,7-8,20H,5-6H2,1-2H3
InChIKeyLVZKNDHMIVSIFT-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.29
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]-7-hydroxy-4-(trifluoromethyl)quinolin-2-one

1-[2-(dimethylamino)ethyl]-7-hydroxy-4-(trifluoromethyl)quinolin-2-one (PubChem CID 71036708) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-7-hydroxy-4-(trifluoromethyl)quinolin-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-7-hydroxy-4-(trifluoromethyl)quinolin-2-one
PubChem CID71036708
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name1-[2-(dimethylamino)ethyl]-7-hydroxy-4-(trifluoromethyl)quinolin-2-one
SMILESCN(C)CCn1c(=O)cc(C(F)(F)F)c2ccc(O)cc21
InChIInChI=1S/C14H15F3N2O2/c1-18(2)5-6-19-12-7-9(20)3-4-10(12)11(8-13(19)21)14(15,16)17/h3-4,7-8,20H,5-6H2,1-2H3
InChIKeyLVZKNDHMIVSIFT-UHFFFAOYSA-N
XLogP2.29
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-7-hydroxy-4-(trifluoromethyl)quinolin-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-7-hydroxy-4-(trifluoromethyl)quinolin-2-one (CID 71036708) is 1-[2-(dimethylamino)ethyl]-7-hydroxy-4-(trifluoromethyl)quinolin-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-7-hydroxy-4-(trifluoromethyl)quinolin-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-7-hydroxy-4-(trifluoromethyl)quinolin-2-one is CN(C)CCn1c(=O)cc(C(F)(F)F)c2ccc(O)cc21.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-7-hydroxy-4-(trifluoromethyl)quinolin-2-one?
The InChIKey is LVZKNDHMIVSIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-18(2)5-6-19-12-7-9(20)3-4-10(12)11(8-13(19)21)14(15,16)17/h3-4,7-8,20H,5-6H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-7-hydroxy-4-(trifluoromethyl)quinolin-2-one?
1-[2-(dimethylamino)ethyl]-7-hydroxy-4-(trifluoromethyl)quinolin-2-one has a molecular weight of 300.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-7-hydroxy-4-(trifluoromethyl)quinolin-2-one is sourced from PubChem (CID 71036708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).