(4R)-1-ethyl-4-[[methyl-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]amino]methyl]pyrrolidin-2-one

C19H22F3N3O — CID 171359749

IUPAC(4R)-1-ethyl-4-[[methyl-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCCN1C[C@@H](CN(C)c2cc(C)nc3ccc(C(F)(F)F)cc23)CC1=O
InChIInChI=1S/C19H22F3N3O/c1-4-25-11-13(8-18(25)26)10-24(3)17-7-12(2)23-16-6-5-14(9-15(16)17)19(20,21)22/h5-7,9,13H,4,8,10-11H2,1-3H3/t13-/m1/s1
InChIKeySVQVDFBPWVHJAQ-CYBMUJFWSA-N
MW365.40 g/mol
LogP3.87
Rot. Bonds4

About (4R)-1-ethyl-4-[[methyl-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]amino]methyl]pyrrolidin-2-one

(4R)-1-ethyl-4-[[methyl-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 171359749) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is (4R)-1-ethyl-4-[[methyl-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-ethyl-4-[[methyl-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]amino]methyl]pyrrolidin-2-one
PubChem CID171359749
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC Name(4R)-1-ethyl-4-[[methyl-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCCN1C[C@@H](CN(C)c2cc(C)nc3ccc(C(F)(F)F)cc23)CC1=O
InChIInChI=1S/C19H22F3N3O/c1-4-25-11-13(8-18(25)26)10-24(3)17-7-12(2)23-16-6-5-14(9-15(16)17)19(20,21)22/h5-7,9,13H,4,8,10-11H2,1-3H3/t13-/m1/s1
InChIKeySVQVDFBPWVHJAQ-CYBMUJFWSA-N
XLogP3.87
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-ethyl-4-[[methyl-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-ethyl-4-[[methyl-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]amino]methyl]pyrrolidin-2-one (CID 171359749) is (4R)-1-ethyl-4-[[methyl-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-ethyl-4-[[methyl-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-ethyl-4-[[methyl-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]amino]methyl]pyrrolidin-2-one is CCN1C[C@@H](CN(C)c2cc(C)nc3ccc(C(F)(F)F)cc23)CC1=O.
What is the InChIKey of (4R)-1-ethyl-4-[[methyl-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is SVQVDFBPWVHJAQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22F3N3O/c1-4-25-11-13(8-18(25)26)10-24(3)17-7-12(2)23-16-6-5-14(9-15(16)17)19(20,21)22/h5-7,9,13H,4,8,10-11H2,1-3H3/t13-/m1/s1.
What are the key properties of (4R)-1-ethyl-4-[[methyl-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]amino]methyl]pyrrolidin-2-one?
(4R)-1-ethyl-4-[[methyl-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 365.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-ethyl-4-[[methyl-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 171359749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).