(2R)-1-[4-(difluoromethoxy)phenyl]-2-quinazolin-4-ylsulfanylpropan-1-one

C18H14F2N2O2S — CID 9323669

IUPAC(2R)-1-[4-(difluoromethoxy)phenyl]-2-quinazolin-4-ylsulfanylpropan-1-one
SMILESC[C@@H](Sc1ncnc2ccccc12)C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H14F2N2O2S/c1-11(16(23)12-6-8-13(9-7-12)24-18(19)20)25-17-14-4-2-3-5-15(14)21-10-22-17/h2-11,18H,1H3/t11-/m1/s1
InChIKeyMUHWWINAFUDDPS-LLVKDONJSA-N
MW360.39 g/mol
LogP4.59
Rot. Bonds6

About (2R)-1-[4-(difluoromethoxy)phenyl]-2-quinazolin-4-ylsulfanylpropan-1-one

(2R)-1-[4-(difluoromethoxy)phenyl]-2-quinazolin-4-ylsulfanylpropan-1-one (PubChem CID 9323669) has the molecular formula C18H14F2N2O2S and a molecular weight of 360.39 g/mol. Its IUPAC name is (2R)-1-[4-(difluoromethoxy)phenyl]-2-quinazolin-4-ylsulfanylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(difluoromethoxy)phenyl]-2-quinazolin-4-ylsulfanylpropan-1-one
PubChem CID9323669
Molecular FormulaC18H14F2N2O2S
Molecular Weight360.39 g/mol
Exact Mass360.07
IUPAC Name(2R)-1-[4-(difluoromethoxy)phenyl]-2-quinazolin-4-ylsulfanylpropan-1-one
SMILESC[C@@H](Sc1ncnc2ccccc12)C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H14F2N2O2S/c1-11(16(23)12-6-8-13(9-7-12)24-18(19)20)25-17-14-4-2-3-5-15(14)21-10-22-17/h2-11,18H,1H3/t11-/m1/s1
InChIKeyMUHWWINAFUDDPS-LLVKDONJSA-N
XLogP4.59
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylpropan-1-one
CID 78761229
2-[(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl]sulfanyl-3-prop-2-enylquinazolin-4-one
CID 9407396
(2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 2362911
(2S)-N-(2,3-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 2429534
5-[1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl]sulfanyl-3,7-dimethyl-1-(2-methylpropyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CID 16520491
(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylpropan-1-one
CID 9324206
(2R)-N-[4-(dimethylamino)phenyl]-2-quinazolin-4-ylsulfanylpropanamide
CID 2607982
N-methyl-2-quinazolin-4-ylsulfanylpropan-1-amine
CID 62577206
(2S)-1-[4-(difluoromethoxy)phenyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 7632998
1-(4-fluorophenyl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-1-one
CID 51319792
(2S)-1-[4-(difluoromethoxy)phenyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
CID 27307262
(2R)-1-[4-(difluoromethoxy)phenyl]-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 7817935

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(difluoromethoxy)phenyl]-2-quinazolin-4-ylsulfanylpropan-1-one?
The IUPAC name of (2R)-1-[4-(difluoromethoxy)phenyl]-2-quinazolin-4-ylsulfanylpropan-1-one (CID 9323669) is (2R)-1-[4-(difluoromethoxy)phenyl]-2-quinazolin-4-ylsulfanylpropan-1-one.
What is the SMILES notation for (2R)-1-[4-(difluoromethoxy)phenyl]-2-quinazolin-4-ylsulfanylpropan-1-one?
The canonical SMILES for (2R)-1-[4-(difluoromethoxy)phenyl]-2-quinazolin-4-ylsulfanylpropan-1-one is C[C@@H](Sc1ncnc2ccccc12)C(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of (2R)-1-[4-(difluoromethoxy)phenyl]-2-quinazolin-4-ylsulfanylpropan-1-one?
The InChIKey is MUHWWINAFUDDPS-LLVKDONJSA-N. The full InChI is InChI=1S/C18H14F2N2O2S/c1-11(16(23)12-6-8-13(9-7-12)24-18(19)20)25-17-14-4-2-3-5-15(14)21-10-22-17/h2-11,18H,1H3/t11-/m1/s1.
What are the key properties of (2R)-1-[4-(difluoromethoxy)phenyl]-2-quinazolin-4-ylsulfanylpropan-1-one?
(2R)-1-[4-(difluoromethoxy)phenyl]-2-quinazolin-4-ylsulfanylpropan-1-one has a molecular weight of 360.39 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(difluoromethoxy)phenyl]-2-quinazolin-4-ylsulfanylpropan-1-one is sourced from PubChem (CID 9323669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).