5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione

C14H15N3O4S — CID 6624044

IUPAC5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C14H15N3O4S/c1-9-12(13(18)16-14(19)15-9)22(20,21)17-8-4-6-10-5-2-3-7-11(10)17/h2-3,5,7H,4,6,8H2,1H3,(H2,15,16,18,19)
InChIKeyCUKFJMNFKLVZKM-UHFFFAOYSA-N
MW321.36 g/mol
LogP0.51
Rot. Bonds2

About 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione

5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 6624044) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID6624044
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C14H15N3O4S/c1-9-12(13(18)16-14(19)15-9)22(20,21)17-8-4-6-10-5-2-3-7-11(10)17/h2-3,5,7H,4,6,8H2,1H3,(H2,15,16,18,19)
InChIKeyCUKFJMNFKLVZKM-UHFFFAOYSA-N
XLogP0.51
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20923333
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
6-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrimidine-2,4-dione
CID 6624083
1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,4-dihydro-2H-quinoline
CID 62998708
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole
CID 866895
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole chloride
CID 53314219
5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione
CID 20969930
1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 51169545
6-methyl-5-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
CID 68531292
1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110865622
3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1H-pyridazin-6-one
CID 23611829
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 17264573

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione (CID 6624044) is 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCCc2ccccc21.
What is the InChIKey of 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is CUKFJMNFKLVZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-9-12(13(18)16-14(19)15-9)22(20,21)17-8-4-6-10-5-2-3-7-11(10)17/h2-3,5,7H,4,6,8H2,1H3,(H2,15,16,18,19).
What are the key properties of 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione?
5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 321.36 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 6624044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).