6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-2-methylidene-1-propylquinazoline

C21H23FN2O2S — CID 159703097

IUPAC6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-2-methylidene-1-propylquinazoline
SMILESC=C1N=Cc2cc(CS(=O)(=O)Cc3ccc(C)c(F)c3)ccc2N1CCC
InChIInChI=1S/C21H23FN2O2S/c1-4-9-24-16(3)23-12-19-10-17(7-8-21(19)24)13-27(25,26)14-18-6-5-15(2)20(22)11-18/h5-8,10-12H,3-4,9,13-14H2,1-2H3
InChIKeyUAAGDWGKRCFWON-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.37
Rot. Bonds6

About 6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-2-methylidene-1-propylquinazoline

6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-2-methylidene-1-propylquinazoline (PubChem CID 159703097) has the molecular formula C21H23FN2O2S and a molecular weight of 386.49 g/mol. Its IUPAC name is 6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-2-methylidene-1-propylquinazoline.

Molecular Properties

Compound Name6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-2-methylidene-1-propylquinazoline
PubChem CID159703097
Molecular FormulaC21H23FN2O2S
Molecular Weight386.49 g/mol
Exact Mass386.15
IUPAC Name6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-2-methylidene-1-propylquinazoline
SMILESC=C1N=Cc2cc(CS(=O)(=O)Cc3ccc(C)c(F)c3)ccc2N1CCC
InChIInChI=1S/C21H23FN2O2S/c1-4-9-24-16(3)23-12-19-10-17(7-8-21(19)24)13-27(25,26)14-18-6-5-15(2)20(22)11-18/h5-8,10-12H,3-4,9,13-14H2,1-2H3
InChIKeyUAAGDWGKRCFWON-UHFFFAOYSA-N
XLogP4.37
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-1-propyl-3,4-dihydroquinazolin-2-one
CID 159705458
6-[(2,3-difluoro-4-methylphenyl)methylsulfonylmethyl]-2-methylidene-1-propyl-4H-3,1-benzothiazine
CID 160631422
(3-fluoro-4-methylphenyl)methanesulfonamide
CID 63648807
methyl (3-fluoro-4-methylphenyl)methanesulfonate
CID 172702190
5-(ethylsulfonylmethyl)-2-methylaniline
CID 117221652
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide
CID 135192185
2-[(3-fluoro-4-methylphenyl)methylsulfonylamino]-3-methylbutanoic acid
CID 122067921
(3-fluoro-4-methylphenyl)methyl-trimethylazanium
CID 158068561
1-(3-fluoro-4-methylphenyl)-N-methyl-N-prop-2-ynylmethanesulfonamide
CID 99837750
1-[4-(aminomethyl)phenyl]-N-(3-fluoro-4-methylphenyl)methanesulfonamide
CID 29034630
6-[(3-fluoro-4-methylphenyl)methylsulfonyl]-3-methyl-1,3-benzoxazol-2-one
CID 161159139
4-(2,2-dimethylbutyl)-2-fluoro-1-methylbenzene
CID 89023362

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-2-methylidene-1-propylquinazoline?
The IUPAC name of 6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-2-methylidene-1-propylquinazoline (CID 159703097) is 6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-2-methylidene-1-propylquinazoline.
What is the SMILES notation for 6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-2-methylidene-1-propylquinazoline?
The canonical SMILES for 6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-2-methylidene-1-propylquinazoline is C=C1N=Cc2cc(CS(=O)(=O)Cc3ccc(C)c(F)c3)ccc2N1CCC.
What is the InChIKey of 6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-2-methylidene-1-propylquinazoline?
The InChIKey is UAAGDWGKRCFWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2S/c1-4-9-24-16(3)23-12-19-10-17(7-8-21(19)24)13-27(25,26)14-18-6-5-15(2)20(22)11-18/h5-8,10-12H,3-4,9,13-14H2,1-2H3.
What are the key properties of 6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-2-methylidene-1-propylquinazoline?
6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-2-methylidene-1-propylquinazoline has a molecular weight of 386.49 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-2-methylidene-1-propylquinazoline is sourced from PubChem (CID 159703097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).