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

C18H15N3O2S — CID 8594295

IUPAC3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cccc2c(C(=O)Cn3cnc4sccc4c3=O)c[nH]c12
InChIInChI=1S/C18H15N3O2S/c1-2-11-4-3-5-12-14(8-19-16(11)12)15(22)9-21-10-20-17-13(18(21)23)6-7-24-17/h3-8,10,19H,2,9H2,1H3
InChIKeyPISFAZNXUNDJMO-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.38
Rot. Bonds4

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

3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 8594295) 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[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID8594295
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cccc2c(C(=O)Cn3cnc4sccc4c3=O)c[nH]c12
InChIInChI=1S/C18H15N3O2S/c1-2-11-4-3-5-12-14(8-19-16(11)12)15(22)9-21-10-20-17-13(18(21)23)6-7-24-17/h3-8,10,19H,2,9H2,1H3
InChIKeyPISFAZNXUNDJMO-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]quinazolin-4-one
CID 7628285
3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 33278412
3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 18224925
1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 47020755
N-ethyl-N-naphthalen-1-yl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 30812236
3-[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 8594583
N-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9372669
N-[3-fluoro-4-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide
CID 8594709
3-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 8594545
3-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 8594292
3-(2-hydroxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-one
CID 110896890
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[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one (CID 8594295) is 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one is CCc1cccc2c(C(=O)Cn3cnc4sccc4c3=O)c[nH]c12.
What is the InChIKey of 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is PISFAZNXUNDJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-2-11-4-3-5-12-14(8-19-16(11)12)15(22)9-21-10-20-17-13(18(21)23)6-7-24-17/h3-8,10,19H,2,9H2,1H3.
What are the key properties of 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?
3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thieno[2,3-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[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 8594295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).