2-(3,4-difluorophenoxy)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

C19H19F2NO2 — CID 112813162

IUPAC2-(3,4-difluorophenoxy)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCC(Oc1ccc(F)c(F)c1)C(=O)N1c2ccccc2CCC1C
InChIInChI=1S/C19H19F2NO2/c1-12-7-8-14-5-3-4-6-18(14)22(12)19(23)13(2)24-15-9-10-16(20)17(21)11-15/h3-6,9-13H,7-8H2,1-2H3
InChIKeyQSBUXIXZCHHBMA-UHFFFAOYSA-N
MW331.36 g/mol
LogP4.10
Rot. Bonds3

About 2-(3,4-difluorophenoxy)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

2-(3,4-difluorophenoxy)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 112813162) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID112813162
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC Name2-(3,4-difluorophenoxy)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCC(Oc1ccc(F)c(F)c1)C(=O)N1c2ccccc2CCC1C
InChIInChI=1S/C19H19F2NO2/c1-12-7-8-14-5-3-4-6-18(14)22(12)19(23)13(2)24-15-9-10-16(20)17(21)11-15/h3-6,9-13H,7-8H2,1-2H3
InChIKeyQSBUXIXZCHHBMA-UHFFFAOYSA-N
XLogP4.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of 2-(3,4-difluorophenoxy)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 112813162) is 2-(3,4-difluorophenoxy)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 2-(3,4-difluorophenoxy)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is CC(Oc1ccc(F)c(F)c1)C(=O)N1c2ccccc2CCC1C.
What is the InChIKey of 2-(3,4-difluorophenoxy)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is QSBUXIXZCHHBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2/c1-12-7-8-14-5-3-4-6-18(14)22(12)19(23)13(2)24-15-9-10-16(20)17(21)11-15/h3-6,9-13H,7-8H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenoxy)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
2-(3,4-difluorophenoxy)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 331.36 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 112813162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).