6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-1-propyl-3,4-dihydroquinazolin-2-one

C20H23FN2O3S — CID 159705458

IUPAC6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-1-propyl-3,4-dihydroquinazolin-2-one
SMILESCCCN1C(=O)NCc2cc(CS(=O)(=O)Cc3ccc(C)c(F)c3)ccc21
InChIInChI=1S/C20H23FN2O3S/c1-3-8-23-19-7-6-15(9-17(19)11-22-20(23)24)12-27(25,26)13-16-5-4-14(2)18(21)10-16/h4-7,9-10H,3,8,11-13H2,1-2H3,(H,22,24)
InChIKeyYOQDISMBGQNIBZ-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.69
Rot. Bonds6

About 6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-1-propyl-3,4-dihydroquinazolin-2-one

6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-1-propyl-3,4-dihydroquinazolin-2-one (PubChem CID 159705458) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is 6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-1-propyl-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-1-propyl-3,4-dihydroquinazolin-2-one
PubChem CID159705458
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-1-propyl-3,4-dihydroquinazolin-2-one
SMILESCCCN1C(=O)NCc2cc(CS(=O)(=O)Cc3ccc(C)c(F)c3)ccc21
InChIInChI=1S/C20H23FN2O3S/c1-3-8-23-19-7-6-15(9-17(19)11-22-20(23)24)12-27(25,26)13-16-5-4-14(2)18(21)10-16/h4-7,9-10H,3,8,11-13H2,1-2H3,(H,22,24)
InChIKeyYOQDISMBGQNIBZ-UHFFFAOYSA-N
XLogP3.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-1-propyl-3,4-dihydroquinazolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-2-methylidene-1-propylquinazoline
CID 159703097
N-(2-oxo-1-propyl-3,4-dihydroquinazolin-6-yl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)methanesulfonamide
CID 137386014
6-[(2,3-difluoro-4-methylphenyl)methylsulfonylmethyl]-2-methylidene-1-propyl-4H-3,1-benzothiazine
CID 160631422
(3-fluoro-4-methylphenyl)methanesulfonamide
CID 63648807
1-butyl-6-[(3-methylphenyl)methylsulfonylmethyl]-3,4-dihydroquinolin-2-one
CID 159745597
methyl (3-fluoro-4-methylphenyl)methanesulfonate
CID 172702190
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide
CID 135192185
5,6-dimethyl-1-propyl-3,4-dihydroquinoxalin-2-one
CID 84623081
5-(ethylsulfonylmethyl)-2-methylaniline
CID 117221652
6-[(4-methylphenyl)methylsulfonylmethyl]-1-prop-2-enyl-3,4-dihydroquinolin-2-one
CID 158026793
3-(2,5-difluoro-4-methylanilino)-1-propylpyrrolidine-2,5-dione
CID 103585414
4-[(4-fluorophenyl)methylsulfonylmethyl]-1-methylpyridin-2-one
CID 75461659

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-1-propyl-3,4-dihydroquinazolin-2-one?
The IUPAC name of 6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-1-propyl-3,4-dihydroquinazolin-2-one (CID 159705458) is 6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-1-propyl-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-1-propyl-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-1-propyl-3,4-dihydroquinazolin-2-one is CCCN1C(=O)NCc2cc(CS(=O)(=O)Cc3ccc(C)c(F)c3)ccc21.
What is the InChIKey of 6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-1-propyl-3,4-dihydroquinazolin-2-one?
The InChIKey is YOQDISMBGQNIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-3-8-23-19-7-6-15(9-17(19)11-22-20(23)24)12-27(25,26)13-16-5-4-14(2)18(21)10-16/h4-7,9-10H,3,8,11-13H2,1-2H3,(H,22,24).
What are the key properties of 6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-1-propyl-3,4-dihydroquinazolin-2-one?
6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-1-propyl-3,4-dihydroquinazolin-2-one has a molecular weight of 390.48 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-1-propyl-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 159705458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).