3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one

C21H19N3O2S — CID 4813760

IUPAC3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one
SMILESCCn1c(SCC(=O)c2c(C)[nH]c3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C21H19N3O2S/c1-3-24-20(26)15-9-5-7-11-17(15)23-21(24)27-12-18(25)19-13(2)22-16-10-6-4-8-14(16)19/h4-11,22H,3,12H2,1-2H3
InChIKeyQEEOVWMZGFONQX-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.18
Rot. Bonds5

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

3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one (PubChem CID 4813760) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one
PubChem CID4813760
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one
SMILESCCn1c(SCC(=O)c2c(C)[nH]c3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C21H19N3O2S/c1-3-24-20(26)15-9-5-7-11-17(15)23-21(24)27-12-18(25)19-13(2)22-16-10-6-4-8-14(16)19/h4-11,22H,3,12H2,1-2H3
InChIKeyQEEOVWMZGFONQX-UHFFFAOYSA-N
XLogP4.18
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methylbutyl)-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-4-oxo-N-propan-2-ylquinazoline-7-carboxamide
CID 46284545
1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone
CID 1252760
3-methyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidin-4-one
CID 35790610
1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2661063
2-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl-3-ethylquinazolin-4-one
CID 7558965
N-cyclopentyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-7-carboxamide
CID 98287606
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide
CID 7875972
3-ethyl-2-phenacylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
CID 7501565
3-ethyl-2-[2-(3-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 8675671
ethyl 5-[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 2575262
1-(2-methyl-1H-indol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 722189
N-(2,6-dimethylphenyl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 1143660

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one?
The IUPAC name of 3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one (CID 4813760) is 3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one is CCn1c(SCC(=O)c2c(C)[nH]c3ccccc23)nc2ccccc2c1=O.
What is the InChIKey of 3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one?
The InChIKey is QEEOVWMZGFONQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-3-24-20(26)15-9-5-7-11-17(15)23-21(24)27-12-18(25)19-13(2)22-16-10-6-4-8-14(16)19/h4-11,22H,3,12H2,1-2H3.
What are the key properties of 3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one?
3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one has a molecular weight of 377.47 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one is sourced from PubChem (CID 4813760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).