5-methyl-4-quinolin-8-ylthieno[2,3-d]pyrimidine

C16H11N3S — CID 39733185

IUPAC5-methyl-4-quinolin-8-ylthieno[2,3-d]pyrimidine
SMILESCc1csc2ncnc(-c3cccc4cccnc34)c12
InChIInChI=1S/C16H11N3S/c1-10-8-20-16-13(10)15(18-9-19-16)12-6-2-4-11-5-3-7-17-14(11)12/h2-9H,1H3
InChIKeyNGUHYXLWVMSEMG-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.21
Rot. Bonds1

About 5-methyl-4-quinolin-8-ylthieno[2,3-d]pyrimidine

5-methyl-4-quinolin-8-ylthieno[2,3-d]pyrimidine (PubChem CID 39733185) has the molecular formula C16H11N3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-methyl-4-quinolin-8-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-methyl-4-quinolin-8-ylthieno[2,3-d]pyrimidine
PubChem CID39733185
Molecular FormulaC16H11N3S
Molecular Weight277.35 g/mol
Exact Mass277.07
IUPAC Name5-methyl-4-quinolin-8-ylthieno[2,3-d]pyrimidine
SMILESCc1csc2ncnc(-c3cccc4cccnc34)c12
InChIInChI=1S/C16H11N3S/c1-10-8-20-16-13(10)15(18-9-19-16)12-6-2-4-11-5-3-7-17-14(11)12/h2-9H,1H3
InChIKeyNGUHYXLWVMSEMG-UHFFFAOYSA-N
XLogP4.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-(2-methylquinolin-5-yl)thieno[2,3-d]pyrimidine
CID 39776274
4-quinolin-8-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 168746995
9-quinolin-8-yl-[1]benzothiolo[2,3-b]pyrazine
CID 168746738
5-methyl-2-quinolin-8-ylpyridin-3-amine
CID 114050997
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
8-methyl-5-quinolin-8-ylisoquinoline
CID 71214016
2-propan-2-yl-4-quinolin-8-yl-1,3-thiazol-5-amine
CID 63968062
8-[2-(3-methylphenyl)phenyl]quinoline
CID 134445651
N-benzyl-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 68604925
8-(3-methyl-2-pyridinyl)quinolin-2-amine
CID 150159281
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-quinolin-8-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 5-methyl-4-quinolin-8-ylthieno[2,3-d]pyrimidine (CID 39733185) is 5-methyl-4-quinolin-8-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-methyl-4-quinolin-8-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 5-methyl-4-quinolin-8-ylthieno[2,3-d]pyrimidine is Cc1csc2ncnc(-c3cccc4cccnc34)c12.
What is the InChIKey of 5-methyl-4-quinolin-8-ylthieno[2,3-d]pyrimidine?
The InChIKey is NGUHYXLWVMSEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3S/c1-10-8-20-16-13(10)15(18-9-19-16)12-6-2-4-11-5-3-7-17-14(11)12/h2-9H,1H3.
What are the key properties of 5-methyl-4-quinolin-8-ylthieno[2,3-d]pyrimidine?
5-methyl-4-quinolin-8-ylthieno[2,3-d]pyrimidine has a molecular weight of 277.35 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-quinolin-8-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 39733185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).