3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one

C18H15N3O2S — CID 33278412

IUPAC3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
SMILESCCc1cccc2c(C(=O)Cn3cnc4ccsc4c3=O)c[nH]c12
InChIInChI=1S/C18H15N3O2S/c1-2-11-4-3-5-12-13(8-19-16(11)12)15(22)9-21-10-20-14-6-7-24-17(14)18(21)23/h3-8,10,19H,2,9H2,1H3
InChIKeyLGLPXMHSEXJVEO-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.38
Rot. Bonds4

About 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one

3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 33278412) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID33278412
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
SMILESCCc1cccc2c(C(=O)Cn3cnc4ccsc4c3=O)c[nH]c12
InChIInChI=1S/C18H15N3O2S/c1-2-11-4-3-5-12-13(8-19-16(11)12)15(22)9-21-10-20-14-6-7-24-17(14)18(21)23/h3-8,10,19H,2,9H2,1H3
InChIKeyLGLPXMHSEXJVEO-UHFFFAOYSA-N
XLogP3.38
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 8594295
3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]quinazolin-4-one
CID 7628285
3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 18224925
3-[2-(2-fluorophenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 33278023
1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 47020755
3-(2-oxo-3-phenylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 62023205
1-(7-ethyl-1H-indol-3-yl)-2-(5-thiophen-2-yltetrazol-1-yl)ethanone
CID 20994761
3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 18123501
butyl 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetate
CID 54940897
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 60700955
3-methyl-4-(4-oxothieno[3,2-d]pyrimidin-3-yl)but-2-enoic acid
CID 77005789
methyl 5-cyano-1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 33231589

Frequently Asked Questions

What is the IUPAC name of 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one (CID 33278412) is 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one is CCc1cccc2c(C(=O)Cn3cnc4ccsc4c3=O)c[nH]c12.
What is the InChIKey of 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is LGLPXMHSEXJVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-2-11-4-3-5-12-13(8-19-16(11)12)15(22)9-21-10-20-14-6-7-24-17(14)18(21)23/h3-8,10,19H,2,9H2,1H3.
What are the key properties of 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one?
3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 337.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 33278412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).