3,8,8-trimethyl-2-methylsulfanyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6-dione

C15H19N3O2S — CID 101381241

IUPAC3,8,8-trimethyl-2-methylsulfanyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
SMILESCSc1nc2c(c(=O)n1C)CC1=C(CC(C)(C)CC1=O)N2
InChIInChI=1S/C15H19N3O2S/c1-15(2)6-10-8(11(19)7-15)5-9-12(16-10)17-14(21-4)18(3)13(9)20/h16H,5-7H2,1-4H3
InChIKeyGMBXBFTYPMMJOA-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.11
Rot. Bonds1

About 3,8,8-trimethyl-2-methylsulfanyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6-dione

3,8,8-trimethyl-2-methylsulfanyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6-dione (PubChem CID 101381241) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3,8,8-trimethyl-2-methylsulfanyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6-dione.

Molecular Properties

Compound Name3,8,8-trimethyl-2-methylsulfanyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
PubChem CID101381241
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3,8,8-trimethyl-2-methylsulfanyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
SMILESCSc1nc2c(c(=O)n1C)CC1=C(CC(C)(C)CC1=O)N2
InChIInChI=1S/C15H19N3O2S/c1-15(2)6-10-8(11(19)7-15)5-9-12(16-10)17-14(21-4)18(3)13(9)20/h16H,5-7H2,1-4H3
InChIKeyGMBXBFTYPMMJOA-UHFFFAOYSA-N
XLogP2.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,8,8-trimethyl-2-methylsulfanyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6-dione with MolForge

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Related Compounds

7,7-dimethyl-3-(trifluoromethyl)-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 144606850
3,7,7-trimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 4210238
1,6,6-trimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one
CID 23551631
4-amino-8,8-dimethyl-2-methylsulfanyl-5-pyridin-4-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
CID 18590059
5-(4-hydroxyphenyl)-8,8-dimethyl-2-methylsulfanyl-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinoline-4,6-dione
CID 135492031
1-acetyl-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one
CID 2778752
1-(4-bromo-3H-pyrazol-5-yl)-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one
CID 162295045
6,6-dimethyl-2-methylsulfanyl-9-(4-propan-2-ylphenyl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 4893407
1,6',6'-trimethylspiro[2H-indole-3,9'-5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline]-8'-one
CID 152802138
6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate
CID 7203133
(9R)-6,6-dimethyl-9-(4-methylphenyl)-2-methylsulfanyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135611583
6,6-dimethyl-9-(4-methylphenyl)-2-methylsulfanyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 3160653

Frequently Asked Questions

What is the IUPAC name of 3,8,8-trimethyl-2-methylsulfanyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6-dione?
The IUPAC name of 3,8,8-trimethyl-2-methylsulfanyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6-dione (CID 101381241) is 3,8,8-trimethyl-2-methylsulfanyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6-dione.
What is the SMILES notation for 3,8,8-trimethyl-2-methylsulfanyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6-dione?
The canonical SMILES for 3,8,8-trimethyl-2-methylsulfanyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6-dione is CSc1nc2c(c(=O)n1C)CC1=C(CC(C)(C)CC1=O)N2.
What is the InChIKey of 3,8,8-trimethyl-2-methylsulfanyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6-dione?
The InChIKey is GMBXBFTYPMMJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-15(2)6-10-8(11(19)7-15)5-9-12(16-10)17-14(21-4)18(3)13(9)20/h16H,5-7H2,1-4H3.
What are the key properties of 3,8,8-trimethyl-2-methylsulfanyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6-dione?
3,8,8-trimethyl-2-methylsulfanyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6-dione has a molecular weight of 305.40 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8,8-trimethyl-2-methylsulfanyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6-dione is sourced from PubChem (CID 101381241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).