(3R)-3-amino-1-[(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3,4-dihydroquinolin-2-one

C17H16F3N3O — CID 178034410

IUPAC(3R)-3-amino-1-[(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3,4-dihydroquinolin-2-one
SMILESC[C@@H](c1cc(C(F)(F)F)ccn1)N1C(=O)[C@H](N)Cc2ccccc21
InChIInChI=1S/C17H16F3N3O/c1-10(14-9-12(6-7-22-14)17(18,19)20)23-15-5-3-2-4-11(15)8-13(21)16(23)24/h2-7,9-10,13H,8,21H2,1H3/t10-,13+/m0/s1
InChIKeyOXBYKMSDCSOJFK-GXFFZTMASA-N
MW335.33 g/mol
LogP3.08
Rot. Bonds2

About (3R)-3-amino-1-[(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3,4-dihydroquinolin-2-one

(3R)-3-amino-1-[(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3,4-dihydroquinolin-2-one (PubChem CID 178034410) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is (3R)-3-amino-1-[(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-1-[(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3,4-dihydroquinolin-2-one
PubChem CID178034410
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name(3R)-3-amino-1-[(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3,4-dihydroquinolin-2-one
SMILESC[C@@H](c1cc(C(F)(F)F)ccn1)N1C(=O)[C@H](N)Cc2ccccc21
InChIInChI=1S/C17H16F3N3O/c1-10(14-9-12(6-7-22-14)17(18,19)20)23-15-5-3-2-4-11(15)8-13(21)16(23)24/h2-7,9-10,13H,8,21H2,1H3/t10-,13+/m0/s1
InChIKeyOXBYKMSDCSOJFK-GXFFZTMASA-N
XLogP3.08
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-[(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of (3R)-3-amino-1-[(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3,4-dihydroquinolin-2-one (CID 178034410) is (3R)-3-amino-1-[(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3R)-3-amino-1-[(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3R)-3-amino-1-[(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3,4-dihydroquinolin-2-one is C[C@@H](c1cc(C(F)(F)F)ccn1)N1C(=O)[C@H](N)Cc2ccccc21.
What is the InChIKey of (3R)-3-amino-1-[(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3,4-dihydroquinolin-2-one?
The InChIKey is OXBYKMSDCSOJFK-GXFFZTMASA-N. The full InChI is InChI=1S/C17H16F3N3O/c1-10(14-9-12(6-7-22-14)17(18,19)20)23-15-5-3-2-4-11(15)8-13(21)16(23)24/h2-7,9-10,13H,8,21H2,1H3/t10-,13+/m0/s1.
What are the key properties of (3R)-3-amino-1-[(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3,4-dihydroquinolin-2-one?
(3R)-3-amino-1-[(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3,4-dihydroquinolin-2-one has a molecular weight of 335.33 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-[(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 178034410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).