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

C19H18N2O2S — CID 42936218

IUPAC3-methyl-8-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline
SMILESCc1cnc2c(S(=O)(=O)N3c4ccccc4CC3C)cccc2c1
InChIInChI=1S/C19H18N2O2S/c1-13-10-16-7-5-9-18(19(16)20-12-13)24(22,23)21-14(2)11-15-6-3-4-8-17(15)21/h3-10,12,14H,11H2,1-2H3
InChIKeyUMMXPTKKEXXALD-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.68
Rot. Bonds2

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

3-methyl-8-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline (PubChem CID 42936218) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 3-methyl-8-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline.

Molecular Properties

Compound Name3-methyl-8-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline
PubChem CID42936218
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name3-methyl-8-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline
SMILESCc1cnc2c(S(=O)(=O)N3c4ccccc4CC3C)cccc2c1
InChIInChI=1S/C19H18N2O2S/c1-13-10-16-7-5-9-18(19(16)20-12-13)24(22,23)21-14(2)11-15-6-3-4-8-17(15)21/h3-10,12,14H,11H2,1-2H3
InChIKeyUMMXPTKKEXXALD-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-8-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline
CID 60534583
3-methyl-8-(2-methylpiperazin-1-yl)sulfonylquinoline
CID 62673138
1-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 68530885
(2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 8511937
(2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole
CID 1034220
8-(2,3-dimethylpiperazin-1-yl)sulfonyl-3-methylquinoline;hydrochloride
CID 120725603
[2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]hydrazine
CID 43454884
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 3750553
(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7456409
(2S)-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 1179545
1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 45146130
1-(2,6-dichlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 42994759

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline?
The IUPAC name of 3-methyl-8-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline (CID 42936218) is 3-methyl-8-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline.
What is the SMILES notation for 3-methyl-8-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline?
The canonical SMILES for 3-methyl-8-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline is Cc1cnc2c(S(=O)(=O)N3c4ccccc4CC3C)cccc2c1.
What is the InChIKey of 3-methyl-8-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline?
The InChIKey is UMMXPTKKEXXALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-13-10-16-7-5-9-18(19(16)20-12-13)24(22,23)21-14(2)11-15-6-3-4-8-17(15)21/h3-10,12,14H,11H2,1-2H3.
What are the key properties of 3-methyl-8-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline?
3-methyl-8-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline has a molecular weight of 338.43 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline is sourced from PubChem (CID 42936218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).