6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione

C18H17N3O3S — CID 44616069

IUPAC6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cc(C(=O)N3CCCc4ccccc43)sc2n(C)c1=O
InChIInChI=1S/C18H17N3O3S/c1-19-15(22)12-10-14(25-17(12)20(2)18(19)24)16(23)21-9-5-7-11-6-3-4-8-13(11)21/h3-4,6,8,10H,5,7,9H2,1-2H3
InChIKeyQLCNWQAAGXOKIK-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.89
Rot. Bonds1

About 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione

6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 44616069) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione
PubChem CID44616069
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cc(C(=O)N3CCCc4ccccc43)sc2n(C)c1=O
InChIInChI=1S/C18H17N3O3S/c1-19-15(22)12-10-14(25-17(12)20(2)18(19)24)16(23)21-9-5-7-11-6-3-4-8-13(11)21/h3-4,6,8,10H,5,7,9H2,1-2H3
InChIKeyQLCNWQAAGXOKIK-UHFFFAOYSA-N
XLogP1.89
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 2097036
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 29479052
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133273201
3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-3-yl)methanone
CID 110762715
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
(5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65307202
1-(4,5-dibromothiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336639
(4-sulfanylthiophen-2-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 107031393
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-4-one
CID 110857132
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 19579066

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione (CID 44616069) is 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2cc(C(=O)N3CCCc4ccccc43)sc2n(C)c1=O.
What is the InChIKey of 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is QLCNWQAAGXOKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-19-15(22)12-10-14(25-17(12)20(2)18(19)24)16(23)21-9-5-7-11-6-3-4-8-13(11)21/h3-4,6,8,10H,5,7,9H2,1-2H3.
What are the key properties of 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 355.42 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 44616069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).