6-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylthieno[2,3-d]pyrimidine-2,4-dione

C24H21N3O3S — CID 56727465

IUPAC6-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc2c(=O)n(-c3ccccc3)c(=O)n(CC(=O)N3c4ccccc4CC3C)c2s1
InChIInChI=1S/C24H21N3O3S/c1-15-12-17-8-6-7-11-20(17)26(15)21(28)14-25-23-19(13-16(2)31-23)22(29)27(24(25)30)18-9-4-3-5-10-18/h3-11,13,15H,12,14H2,1-2H3
InChIKeyVOBIMWVRAQWWCE-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.50
Rot. Bonds3

About 6-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylthieno[2,3-d]pyrimidine-2,4-dione

6-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylthieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 56727465) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is 6-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylthieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylthieno[2,3-d]pyrimidine-2,4-dione
PubChem CID56727465
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC Name6-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc2c(=O)n(-c3ccccc3)c(=O)n(CC(=O)N3c4ccccc4CC3C)c2s1
InChIInChI=1S/C24H21N3O3S/c1-15-12-17-8-6-7-11-20(17)26(15)21(28)14-25-23-19(13-16(2)31-23)22(29)27(24(25)30)18-9-4-3-5-10-18/h3-11,13,15H,12,14H2,1-2H3
InChIKeyVOBIMWVRAQWWCE-UHFFFAOYSA-N
XLogP3.50
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one
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2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 3301294
1-(2-methyl-2,3-dihydroindol-1-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione
CID 78802116
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CID 3438367
2-methyl-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazole-4,5-dicarbonitrile
CID 99700783
6-ethyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 8003928
7-chloro-3-(4-chlorophenyl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 4536880
6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 2532904

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylthieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylthieno[2,3-d]pyrimidine-2,4-dione (CID 56727465) is 6-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylthieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylthieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylthieno[2,3-d]pyrimidine-2,4-dione is Cc1cc2c(=O)n(-c3ccccc3)c(=O)n(CC(=O)N3c4ccccc4CC3C)c2s1.
What is the InChIKey of 6-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylthieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is VOBIMWVRAQWWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-15-12-17-8-6-7-11-20(17)26(15)21(28)14-25-23-19(13-16(2)31-23)22(29)27(24(25)30)18-9-4-3-5-10-18/h3-11,13,15H,12,14H2,1-2H3.
What are the key properties of 6-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylthieno[2,3-d]pyrimidine-2,4-dione?
6-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylthieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 431.52 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylthieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 56727465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).