4-chloro-2-(4-methylquinolin-2-yl)thieno[2,3-d]pyrimidine

C16H10ClN3S — CID 114754484

IUPAC4-chloro-2-(4-methylquinolin-2-yl)thieno[2,3-d]pyrimidine
SMILESCc1cc(-c2nc(Cl)c3ccsc3n2)nc2ccccc12
InChIInChI=1S/C16H10ClN3S/c1-9-8-13(18-12-5-3-2-4-10(9)12)15-19-14(17)11-6-7-21-16(11)20-15/h2-8H,1H3
InChIKeyNYOFZXXUWRNDJS-UHFFFAOYSA-N
MW311.80 g/mol
LogP4.87
Rot. Bonds1

About 4-chloro-2-(4-methylquinolin-2-yl)thieno[2,3-d]pyrimidine

4-chloro-2-(4-methylquinolin-2-yl)thieno[2,3-d]pyrimidine (PubChem CID 114754484) has the molecular formula C16H10ClN3S and a molecular weight of 311.80 g/mol. Its IUPAC name is 4-chloro-2-(4-methylquinolin-2-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-methylquinolin-2-yl)thieno[2,3-d]pyrimidine
PubChem CID114754484
Molecular FormulaC16H10ClN3S
Molecular Weight311.80 g/mol
Exact Mass311.03
IUPAC Name4-chloro-2-(4-methylquinolin-2-yl)thieno[2,3-d]pyrimidine
SMILESCc1cc(-c2nc(Cl)c3ccsc3n2)nc2ccccc12
InChIInChI=1S/C16H10ClN3S/c1-9-8-13(18-12-5-3-2-4-10(9)12)15-19-14(17)11-6-7-21-16(11)20-15/h2-8H,1H3
InChIKeyNYOFZXXUWRNDJS-UHFFFAOYSA-N
XLogP4.87
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.80
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,6-dichloro-5-ethylpyrimidin-2-yl)-4-methylquinoline
CID 114754592
4-chloro-2-(2-methylphenyl)thieno[2,3-d]pyrimidine
CID 62177117
4-chloro-2-naphthalen-2-ylthieno[2,3-d]pyrimidine
CID 62717082
4-chloro-2-(4-methyl-3-pyridinyl)thieno[2,3-d]pyrimidine
CID 114876300
5-bromo-3-(4-methylquinolin-2-yl)-1,2,4-thiadiazole
CID 102617864
4-methyl-6-(4-methylquinolin-2-yl)-1,3,5-triazin-2-amine
CID 114755546
2-(1-benzofuran-2-yl)-4-chlorothieno[2,3-d]pyrimidine
CID 55181045
4-chlorothieno[3,2-c]quinoline
CID 11701333
2-[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]-4-methylquinoline
CID 114754588
4-chloro-2-(4-chlorophenyl)thieno[2,3-d]pyrimidine
CID 172833206
4-methyl-2-(2,3,4,5-tetramethylphenyl)quinoline
CID 59348556
4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 62178883

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methylquinolin-2-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(4-methylquinolin-2-yl)thieno[2,3-d]pyrimidine (CID 114754484) is 4-chloro-2-(4-methylquinolin-2-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(4-methylquinolin-2-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(4-methylquinolin-2-yl)thieno[2,3-d]pyrimidine is Cc1cc(-c2nc(Cl)c3ccsc3n2)nc2ccccc12.
What is the InChIKey of 4-chloro-2-(4-methylquinolin-2-yl)thieno[2,3-d]pyrimidine?
The InChIKey is NYOFZXXUWRNDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3S/c1-9-8-13(18-12-5-3-2-4-10(9)12)15-19-14(17)11-6-7-21-16(11)20-15/h2-8H,1H3.
What are the key properties of 4-chloro-2-(4-methylquinolin-2-yl)thieno[2,3-d]pyrimidine?
4-chloro-2-(4-methylquinolin-2-yl)thieno[2,3-d]pyrimidine has a molecular weight of 311.80 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methylquinolin-2-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 114754484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).