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

C19H24F3N3O — CID 11566826

IUPAC6-[(2R)-2-(diethylaminomethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCN(CC)C[C@H]1CCCN1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C19H24F3N3O/c1-3-24(4-2)12-14-6-5-9-25(14)13-7-8-17-15(10-13)16(19(20,21)22)11-18(26)23-17/h7-8,10-11,14H,3-6,9,12H2,1-2H3,(H,23,26)/t14-/m1/s1
InChIKeyJHYUEXWKROPREM-CQSZACIVSA-N
MW367.42 g/mol
LogP3.86
Rot. Bonds5

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

6-[(2R)-2-(diethylaminomethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 11566826) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is 6-[(2R)-2-(diethylaminomethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(2R)-2-(diethylaminomethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID11566826
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name6-[(2R)-2-(diethylaminomethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCN(CC)C[C@H]1CCCN1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C19H24F3N3O/c1-3-24(4-2)12-14-6-5-9-25(14)13-7-8-17-15(10-13)16(19(20,21)22)11-18(26)23-17/h7-8,10-11,14H,3-6,9,12H2,1-2H3,(H,23,26)/t14-/m1/s1
InChIKeyJHYUEXWKROPREM-CQSZACIVSA-N
XLogP3.86
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(diethylaminomethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-[(2R)-2-(diethylaminomethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one (CID 11566826) is 6-[(2R)-2-(diethylaminomethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-[(2R)-2-(diethylaminomethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-[(2R)-2-(diethylaminomethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one is CCN(CC)C[C@H]1CCCN1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1.
What is the InChIKey of 6-[(2R)-2-(diethylaminomethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is JHYUEXWKROPREM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-3-24(4-2)12-14-6-5-9-25(14)13-7-8-17-15(10-13)16(19(20,21)22)11-18(26)23-17/h7-8,10-11,14H,3-6,9,12H2,1-2H3,(H,23,26)/t14-/m1/s1.
What are the key properties of 6-[(2R)-2-(diethylaminomethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one?
6-[(2R)-2-(diethylaminomethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 367.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-(diethylaminomethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 11566826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).