3-methyl-8-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline

C19H18N2O2S — CID 60534583

IUPAC3-methyl-8-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline
SMILESCc1cnc2c(S(=O)(=O)N3CC(C)c4ccccc43)cccc2c1
InChIInChI=1S/C19H18N2O2S/c1-13-10-15-6-5-9-18(19(15)20-11-13)24(22,23)21-12-14(2)16-7-3-4-8-17(16)21/h3-11,14H,12H2,1-2H3
InChIKeyGQQXUTNTEGBQIL-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.86
Rot. Bonds2

About 3-methyl-8-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline

3-methyl-8-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline (PubChem CID 60534583) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 3-methyl-8-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline.

Molecular Properties

Compound Name3-methyl-8-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline
PubChem CID60534583
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name3-methyl-8-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline
SMILESCc1cnc2c(S(=O)(=O)N3CC(C)c4ccccc43)cccc2c1
InChIInChI=1S/C19H18N2O2S/c1-13-10-15-6-5-9-18(19(15)20-11-13)24(22,23)21-12-14(2)16-7-3-4-8-17(16)21/h3-11,14H,12H2,1-2H3
InChIKeyGQQXUTNTEGBQIL-UHFFFAOYSA-N
XLogP3.86
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline?
The IUPAC name of 3-methyl-8-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline (CID 60534583) is 3-methyl-8-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline.
What is the SMILES notation for 3-methyl-8-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline?
The canonical SMILES for 3-methyl-8-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline is Cc1cnc2c(S(=O)(=O)N3CC(C)c4ccccc43)cccc2c1.
What is the InChIKey of 3-methyl-8-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline?
The InChIKey is GQQXUTNTEGBQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-13-10-15-6-5-9-18(19(15)20-11-13)24(22,23)21-12-14(2)16-7-3-4-8-17(16)21/h3-11,14H,12H2,1-2H3.
What are the key properties of 3-methyl-8-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline?
3-methyl-8-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline has a molecular weight of 338.43 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline is sourced from PubChem (CID 60534583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).