6-ethyl-3-[(6-fluoroquinolin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one

C18H14FN3OS — CID 38838653

IUPAC6-ethyl-3-[(6-fluoroquinolin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(Cc3cc(F)cc4cccnc34)cnc2s1
InChIInChI=1S/C18H14FN3OS/c1-2-14-8-15-17(24-14)21-10-22(18(15)23)9-12-7-13(19)6-11-4-3-5-20-16(11)12/h3-8,10H,2,9H2,1H3
InChIKeyRGSAYHYOEKQEHP-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.76
Rot. Bonds3

About 6-ethyl-3-[(6-fluoroquinolin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one

6-ethyl-3-[(6-fluoroquinolin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 38838653) has the molecular formula C18H14FN3OS and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-ethyl-3-[(6-fluoroquinolin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-[(6-fluoroquinolin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID38838653
Molecular FormulaC18H14FN3OS
Molecular Weight339.40 g/mol
Exact Mass339.08
IUPAC Name6-ethyl-3-[(6-fluoroquinolin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(Cc3cc(F)cc4cccnc34)cnc2s1
InChIInChI=1S/C18H14FN3OS/c1-2-14-8-15-17(24-14)21-10-22(18(15)23)9-12-7-13(19)6-11-4-3-5-20-16(11)12/h3-8,10H,2,9H2,1H3
InChIKeyRGSAYHYOEKQEHP-UHFFFAOYSA-N
XLogP3.76
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[(6-fluoroquinolin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-3-[(6-fluoroquinolin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one (CID 38838653) is 6-ethyl-3-[(6-fluoroquinolin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-[(6-fluoroquinolin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-[(6-fluoroquinolin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(Cc3cc(F)cc4cccnc34)cnc2s1.
What is the InChIKey of 6-ethyl-3-[(6-fluoroquinolin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is RGSAYHYOEKQEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3OS/c1-2-14-8-15-17(24-14)21-10-22(18(15)23)9-12-7-13(19)6-11-4-3-5-20-16(11)12/h3-8,10H,2,9H2,1H3.
What are the key properties of 6-ethyl-3-[(6-fluoroquinolin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
6-ethyl-3-[(6-fluoroquinolin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 339.40 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[(6-fluoroquinolin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 38838653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).