6-[2-(2-hydroxyethyl)-5-methylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one

C17H19F3N2O2 — CID 11522947

IUPAC6-[2-(2-hydroxyethyl)-5-methylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCC1CCC(CCO)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C17H19F3N2O2/c1-10-2-3-11(6-7-23)22(10)12-4-5-15-13(8-12)14(17(18,19)20)9-16(24)21-15/h4-5,8-11,23H,2-3,6-7H2,1H3,(H,21,24)
InChIKeyRZEPCRPPYDCQDW-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.29
Rot. Bonds3

About 6-[2-(2-hydroxyethyl)-5-methylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one

6-[2-(2-hydroxyethyl)-5-methylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 11522947) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 6-[2-(2-hydroxyethyl)-5-methylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(2-hydroxyethyl)-5-methylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID11522947
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name6-[2-(2-hydroxyethyl)-5-methylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCC1CCC(CCO)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C17H19F3N2O2/c1-10-2-3-11(6-7-23)22(10)12-4-5-15-13(8-12)14(17(18,19)20)9-16(24)21-15/h4-5,8-11,23H,2-3,6-7H2,1H3,(H,21,24)
InChIKeyRZEPCRPPYDCQDW-UHFFFAOYSA-N
XLogP3.29
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.29
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)-5-methylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-[2-(2-hydroxyethyl)-5-methylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one (CID 11522947) is 6-[2-(2-hydroxyethyl)-5-methylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(2-hydroxyethyl)-5-methylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(2-hydroxyethyl)-5-methylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one is CC1CCC(CCO)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1.
What is the InChIKey of 6-[2-(2-hydroxyethyl)-5-methylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is RZEPCRPPYDCQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-10-2-3-11(6-7-23)22(10)12-4-5-15-13(8-12)14(17(18,19)20)9-16(24)21-15/h4-5,8-11,23H,2-3,6-7H2,1H3,(H,21,24).
What are the key properties of 6-[2-(2-hydroxyethyl)-5-methylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one?
6-[2-(2-hydroxyethyl)-5-methylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 340.35 g/mol, XLogP of 3.29, 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)-5-methylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 11522947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).