7-(dimethylamino)-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one

C18H17F3N2O2 — CID 169412411

IUPAC7-(dimethylamino)-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(C)c1ccc2c(c1)NC(=O)CC2c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O2/c1-23(2)12-5-8-14-15(10-17(24)22-16(14)9-12)11-3-6-13(7-4-11)25-18(19,20)21/h3-9,15H,10H2,1-2H3,(H,22,24)
InChIKeyMCMAFNVUALDBRR-UHFFFAOYSA-N
MW350.34 g/mol
LogP4.13
Rot. Bonds3

About 7-(dimethylamino)-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one

7-(dimethylamino)-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 169412411) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 7-(dimethylamino)-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(dimethylamino)-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID169412411
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name7-(dimethylamino)-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(C)c1ccc2c(c1)NC(=O)CC2c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O2/c1-23(2)12-5-8-14-15(10-17(24)22-16(14)9-12)11-3-6-13(7-4-11)25-18(19,20)21/h3-9,15H,10H2,1-2H3,(H,22,24)
InChIKeyMCMAFNVUALDBRR-UHFFFAOYSA-N
XLogP4.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(dimethylamino)-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one (CID 169412411) is 7-(dimethylamino)-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(dimethylamino)-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(dimethylamino)-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one is CN(C)c1ccc2c(c1)NC(=O)CC2c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 7-(dimethylamino)-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MCMAFNVUALDBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-23(2)12-5-8-14-15(10-17(24)22-16(14)9-12)11-3-6-13(7-4-11)25-18(19,20)21/h3-9,15H,10H2,1-2H3,(H,22,24).
What are the key properties of 7-(dimethylamino)-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one?
7-(dimethylamino)-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 350.34 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 169412411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).