(3R,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide

C17H18F3N3O — CID 166238281

IUPAC(3R,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc2cc(CN3C[C@H](C(N)=O)[C@@H](C(F)(F)F)C3)ccc2n1
InChIInChI=1S/C17H18F3N3O/c1-10-2-4-12-6-11(3-5-15(12)22-10)7-23-8-13(16(21)24)14(9-23)17(18,19)20/h2-6,13-14H,7-9H2,1H3,(H2,21,24)/t13-,14-/m0/s1
InChIKeyDAVJXNGZWUAXGK-KBPBESRZSA-N
MW337.35 g/mol
LogP2.64
Rot. Bonds3

About (3R,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide

(3R,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 166238281) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is (3R,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID166238281
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name(3R,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc2cc(CN3C[C@H](C(N)=O)[C@@H](C(F)(F)F)C3)ccc2n1
InChIInChI=1S/C17H18F3N3O/c1-10-2-4-12-6-11(3-5-15(12)22-10)7-23-8-13(16(21)24)14(9-23)17(18,19)20/h2-6,13-14H,7-9H2,1H3,(H2,21,24)/t13-,14-/m0/s1
InChIKeyDAVJXNGZWUAXGK-KBPBESRZSA-N
XLogP2.64
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 166238281) is (3R,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide is Cc1ccc2cc(CN3C[C@H](C(N)=O)[C@@H](C(F)(F)F)C3)ccc2n1.
What is the InChIKey of (3R,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is DAVJXNGZWUAXGK-KBPBESRZSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-10-2-4-12-6-11(3-5-15(12)22-10)7-23-8-13(16(21)24)14(9-23)17(18,19)20/h2-6,13-14H,7-9H2,1H3,(H2,21,24)/t13-,14-/m0/s1.
What are the key properties of (3R,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
(3R,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 166238281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).