5-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-6-methyl-1H-pyrimidine-2,4-dione

C15H16FN3O4S — CID 3242415

IUPAC5-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1c2ccc(F)cc2CCC1C
InChIInChI=1S/C15H16FN3O4S/c1-8-3-4-10-7-11(16)5-6-12(10)19(8)24(22,23)13-9(2)17-15(21)18-14(13)20/h5-8H,3-4H2,1-2H3,(H2,17,18,20,21)
InChIKeyFCWQELCRKXIDFO-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.04
Rot. Bonds2

About 5-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-6-methyl-1H-pyrimidine-2,4-dione

5-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 3242415) has the molecular formula C15H16FN3O4S and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID3242415
Molecular FormulaC15H16FN3O4S
Molecular Weight353.38 g/mol
Exact Mass353.08
IUPAC Name5-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1c2ccc(F)cc2CCC1C
InChIInChI=1S/C15H16FN3O4S/c1-8-3-4-10-7-11(16)5-6-12(10)19(8)24(22,23)13-9(2)17-15(21)18-14(13)20/h5-8H,3-4H2,1-2H3,(H2,17,18,20,21)
InChIKeyFCWQELCRKXIDFO-UHFFFAOYSA-N
XLogP1.04
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 3242415) is 5-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1c2ccc(F)cc2CCC1C.
What is the InChIKey of 5-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is FCWQELCRKXIDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O4S/c1-8-3-4-10-7-11(16)5-6-12(10)19(8)24(22,23)13-9(2)17-15(21)18-14(13)20/h5-8H,3-4H2,1-2H3,(H2,17,18,20,21).
What are the key properties of 5-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-6-methyl-1H-pyrimidine-2,4-dione?
5-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 353.38 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3242415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).