1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]ethanone

C22H20N2O3S — CID 3186994

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]ethanone
SMILESCc1cc2cc3c(cc2nc1SCC(=O)N1c2ccccc2CC1C)OCO3
InChIInChI=1S/C22H20N2O3S/c1-13-7-16-9-19-20(27-12-26-19)10-17(16)23-22(13)28-11-21(25)24-14(2)8-15-5-3-4-6-18(15)24/h3-7,9-10,14H,8,11-12H2,1-2H3
InChIKeyXQAPDTFZWAMSEY-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.34
Rot. Bonds3

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]ethanone

1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]ethanone (PubChem CID 3186994) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]ethanone
PubChem CID3186994
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]ethanone
SMILESCc1cc2cc3c(cc2nc1SCC(=O)N1c2ccccc2CC1C)OCO3
InChIInChI=1S/C22H20N2O3S/c1-13-7-16-9-19-20(27-12-26-19)10-17(16)23-22(13)28-11-21(25)24-14(2)8-15-5-3-4-6-18(15)24/h3-7,9-10,14H,8,11-12H2,1-2H3
InChIKeyXQAPDTFZWAMSEY-UHFFFAOYSA-N
XLogP4.34
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 649622
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CID 650077
CID 651585
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CID 652308
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CID 855567
CID 855567
CID 859502
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CID 859504
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CID 859517
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CID 1171995
CID 1171995

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]ethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]ethanone (CID 3186994) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]ethanone is Cc1cc2cc3c(cc2nc1SCC(=O)N1c2ccccc2CC1C)OCO3.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]ethanone?
The InChIKey is XQAPDTFZWAMSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-13-7-16-9-19-20(27-12-26-19)10-17(16)23-22(13)28-11-21(25)24-14(2)8-15-5-3-4-6-18(15)24/h3-7,9-10,14H,8,11-12H2,1-2H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]ethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]ethanone has a molecular weight of 392.48 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]ethanone is sourced from PubChem (CID 3186994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).