(2,8-dimethylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone

C17H17F3N2O — CID 96575693

IUPAC(2,8-dimethylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@@H]2C(F)(F)F)c2cccc(C)c2n1
InChIInChI=1S/C17H17F3N2O/c1-10-5-3-6-12-13(9-11(2)21-15(10)12)16(23)22-8-4-7-14(22)17(18,19)20/h3,5-6,9,14H,4,7-8H2,1-2H3/t14-/m1/s1
InChIKeyAQMPZJZGOIGUIX-CQSZACIVSA-N
MW322.33 g/mol
LogP4.02
Rot. Bonds1

About (2,8-dimethylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone

(2,8-dimethylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 96575693) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is (2,8-dimethylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,8-dimethylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID96575693
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name(2,8-dimethylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@@H]2C(F)(F)F)c2cccc(C)c2n1
InChIInChI=1S/C17H17F3N2O/c1-10-5-3-6-12-13(9-11(2)21-15(10)12)16(23)22-8-4-7-14(22)17(18,19)20/h3,5-6,9,14H,4,7-8H2,1-2H3/t14-/m1/s1
InChIKeyAQMPZJZGOIGUIX-CQSZACIVSA-N
XLogP4.02
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,8-dimethylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,8-dimethylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 96575693) is (2,8-dimethylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,8-dimethylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,8-dimethylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone is Cc1cc(C(=O)N2CCC[C@@H]2C(F)(F)F)c2cccc(C)c2n1.
What is the InChIKey of (2,8-dimethylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is AQMPZJZGOIGUIX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17F3N2O/c1-10-5-3-6-12-13(9-11(2)21-15(10)12)16(23)22-8-4-7-14(22)17(18,19)20/h3,5-6,9,14H,4,7-8H2,1-2H3/t14-/m1/s1.
What are the key properties of (2,8-dimethylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
(2,8-dimethylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 322.33 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,8-dimethylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 96575693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).