6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C17H15N3O2S — CID 3406118

IUPAC6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2ncc(C(=O)N3CCCc4ccccc43)c(=O)n12
InChIInChI=1S/C17H15N3O2S/c1-11-10-23-17-18-9-13(16(22)20(11)17)15(21)19-8-4-6-12-5-2-3-7-14(12)19/h2-3,5,7,9-10H,4,6,8H2,1H3
InChIKeyPJDWVLUTWZFGGT-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.66
Rot. Bonds1

About 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 3406118) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID3406118
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2ncc(C(=O)N3CCCc4ccccc43)c(=O)n12
InChIInChI=1S/C17H15N3O2S/c1-11-10-23-17-18-9-13(16(22)20(11)17)15(21)19-8-4-6-12-5-2-3-7-14(12)19/h2-3,5,7,9-10H,4,6,8H2,1H3
InChIKeyPJDWVLUTWZFGGT-UHFFFAOYSA-N
XLogP2.66
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 3406118) is 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2ncc(C(=O)N3CCCc4ccccc43)c(=O)n12.
What is the InChIKey of 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is PJDWVLUTWZFGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-11-10-23-17-18-9-13(16(22)20(11)17)15(21)19-8-4-6-12-5-2-3-7-14(12)19/h2-3,5,7,9-10H,4,6,8H2,1H3.
What are the key properties of 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 325.39 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 3406118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).