6-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one

C16H17F3N2O2 — CID 11544390

IUPAC6-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(N3CCCC3CCO)ccc2[nH]1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)13-9-15(23)20-14-4-3-11(8-12(13)14)21-6-1-2-10(21)5-7-22/h3-4,8-10,22H,1-2,5-7H2,(H,20,23)
InChIKeyRMFDFTVCCLHQBF-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.90
Rot. Bonds3

About 6-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one

6-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 11544390) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 6-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID11544390
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name6-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(N3CCCC3CCO)ccc2[nH]1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)13-9-15(23)20-14-4-3-11(8-12(13)14)21-6-1-2-10(21)5-7-22/h3-4,8-10,22H,1-2,5-7H2,(H,20,23)
InChIKeyRMFDFTVCCLHQBF-UHFFFAOYSA-N
XLogP2.90
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one (CID 11544390) is 6-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one is O=c1cc(C(F)(F)F)c2cc(N3CCCC3CCO)ccc2[nH]1.
What is the InChIKey of 6-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is RMFDFTVCCLHQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c17-16(18,19)13-9-15(23)20-14-4-3-11(8-12(13)14)21-6-1-2-10(21)5-7-22/h3-4,8-10,22H,1-2,5-7H2,(H,20,23).
What are the key properties of 6-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one?
6-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 326.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 11544390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).