6,7-dimethoxy-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one

C18H16F3NO3 — CID 2938130

IUPAC6,7-dimethoxy-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1ccccc1C(F)(F)F)CC(=O)N2
InChIInChI=1S/C18H16F3NO3/c1-24-15-7-12-11(8-17(23)22-14(12)9-16(15)25-2)10-5-3-4-6-13(10)18(19,20)21/h3-7,9,11H,8H2,1-2H3,(H,22,23)
InChIKeyJHNLHSQSWGIDQI-UHFFFAOYSA-N
MW351.32 g/mol
LogP4.20
Rot. Bonds3

About 6,7-dimethoxy-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one

6,7-dimethoxy-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 2938130) has the molecular formula C18H16F3NO3 and a molecular weight of 351.32 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID2938130
Molecular FormulaC18H16F3NO3
Molecular Weight351.32 g/mol
Exact Mass351.11
IUPAC Name6,7-dimethoxy-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1ccccc1C(F)(F)F)CC(=O)N2
InChIInChI=1S/C18H16F3NO3/c1-24-15-7-12-11(8-17(23)22-14(12)9-16(15)25-2)10-5-3-4-6-13(10)18(19,20)21/h3-7,9,11H,8H2,1-2H3,(H,22,23)
InChIKeyJHNLHSQSWGIDQI-UHFFFAOYSA-N
XLogP4.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6,7-dimethoxy-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one (CID 2938130) is 6,7-dimethoxy-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6,7-dimethoxy-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6,7-dimethoxy-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(cc1OC)C(c1ccccc1C(F)(F)F)CC(=O)N2.
What is the InChIKey of 6,7-dimethoxy-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JHNLHSQSWGIDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO3/c1-24-15-7-12-11(8-17(23)22-14(12)9-16(15)25-2)10-5-3-4-6-13(10)18(19,20)21/h3-7,9,11H,8H2,1-2H3,(H,22,23).
What are the key properties of 6,7-dimethoxy-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one?
6,7-dimethoxy-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 351.32 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 2938130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).