3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]quinazolin-4-one

C20H17N3O2 — CID 7628285

IUPAC3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]quinazolin-4-one
SMILESCCc1cccc2c(C(=O)Cn3cnc4ccccc4c3=O)c[nH]c12
InChIInChI=1S/C20H17N3O2/c1-2-13-6-5-8-14-16(10-21-19(13)14)18(24)11-23-12-22-17-9-4-3-7-15(17)20(23)25/h3-10,12,21H,2,11H2,1H3
InChIKeyJXNQEVQMQUXELI-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.32
Rot. Bonds4

About 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]quinazolin-4-one

3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]quinazolin-4-one (PubChem CID 7628285) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]quinazolin-4-one
PubChem CID7628285
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]quinazolin-4-one
SMILESCCc1cccc2c(C(=O)Cn3cnc4ccccc4c3=O)c[nH]c12
InChIInChI=1S/C20H17N3O2/c1-2-13-6-5-8-14-16(10-21-19(13)14)18(24)11-23-12-22-17-9-4-3-7-15(17)20(23)25/h3-10,12,21H,2,11H2,1H3
InChIKeyJXNQEVQMQUXELI-UHFFFAOYSA-N
XLogP3.32
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]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
3-[2-oxo-2-(1-propylindol-3-yl)ethyl]quinazolin-4-one
CID 41316271
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 932622
3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 17436537
3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one
CID 4809023
methyl 5-cyano-1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 33231589
[2-(2-ethylanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995489
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878

Frequently Asked Questions

What is the IUPAC name of 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]quinazolin-4-one (CID 7628285) is 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]quinazolin-4-one is CCc1cccc2c(C(=O)Cn3cnc4ccccc4c3=O)c[nH]c12.
What is the InChIKey of 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]quinazolin-4-one?
The InChIKey is JXNQEVQMQUXELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-2-13-6-5-8-14-16(10-21-19(13)14)18(24)11-23-12-22-17-9-4-3-7-15(17)20(23)25/h3-10,12,21H,2,11H2,1H3.
What are the key properties of 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]quinazolin-4-one?
3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]quinazolin-4-one has a molecular weight of 331.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 7628285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).