(2R)-2-(1H-indol-3-yl)-1-methylsulfonyl-2H-quinoline

C18H16N2O2S — CID 6962820

IUPAC(2R)-2-(1H-indol-3-yl)-1-methylsulfonyl-2H-quinoline
SMILESCS(=O)(=O)N1c2ccccc2C=C[C@@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C18H16N2O2S/c1-23(21,22)20-17-9-5-2-6-13(17)10-11-18(20)15-12-19-16-8-4-3-7-14(15)16/h2-12,18-19H,1H3/t18-/m1/s1
InChIKeyWOGLSMXZLCUEFL-GOSISDBHSA-N
MW324.41 g/mol
LogP3.70
Rot. Bonds2

About (2R)-2-(1H-indol-3-yl)-1-methylsulfonyl-2H-quinoline

(2R)-2-(1H-indol-3-yl)-1-methylsulfonyl-2H-quinoline (PubChem CID 6962820) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is (2R)-2-(1H-indol-3-yl)-1-methylsulfonyl-2H-quinoline.

Molecular Properties

Compound Name(2R)-2-(1H-indol-3-yl)-1-methylsulfonyl-2H-quinoline
PubChem CID6962820
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name(2R)-2-(1H-indol-3-yl)-1-methylsulfonyl-2H-quinoline
SMILESCS(=O)(=O)N1c2ccccc2C=C[C@@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C18H16N2O2S/c1-23(21,22)20-17-9-5-2-6-13(17)10-11-18(20)15-12-19-16-8-4-3-7-14(15)16/h2-12,18-19H,1H3/t18-/m1/s1
InChIKeyWOGLSMXZLCUEFL-GOSISDBHSA-N
XLogP3.70
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)sulfonyl-2-phenyl-2H-quinoline
CID 10618601
3-(2H-chromen-2-yl)-1H-indole
CID 132540240
3-[2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1,3-dihydropyrazol-3-yl]-1H-indole
CID 54127089
3-methylsulfonyl-1H-indole
CID 86767790
[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol
CID 123796062
3-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-1H-indole
CID 113086472
1,3-bis(1H-indol-3-yl)-3H-pyrrol-2-one
CID 10425726
3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole
CID 91802123
1-[(2R)-2-methyl-1-methylsulfonyl-2H-quinolin-3-yl]ethanone
CID 157401407
2-(3,5-ditert-butyl-4-fluorophenyl)sulfonyl-1-(1H-indol-3-yl)-1H-isoquinoline
CID 171980556
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
4-[4-(1H-indol-3-yl)piperidin-1-yl]-3-methylsulfonylbenzenesulfonamide
CID 56578901

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-indol-3-yl)-1-methylsulfonyl-2H-quinoline?
The IUPAC name of (2R)-2-(1H-indol-3-yl)-1-methylsulfonyl-2H-quinoline (CID 6962820) is (2R)-2-(1H-indol-3-yl)-1-methylsulfonyl-2H-quinoline.
What is the SMILES notation for (2R)-2-(1H-indol-3-yl)-1-methylsulfonyl-2H-quinoline?
The canonical SMILES for (2R)-2-(1H-indol-3-yl)-1-methylsulfonyl-2H-quinoline is CS(=O)(=O)N1c2ccccc2C=C[C@@H]1c1c[nH]c2ccccc12.
What is the InChIKey of (2R)-2-(1H-indol-3-yl)-1-methylsulfonyl-2H-quinoline?
The InChIKey is WOGLSMXZLCUEFL-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-23(21,22)20-17-9-5-2-6-13(17)10-11-18(20)15-12-19-16-8-4-3-7-14(15)16/h2-12,18-19H,1H3/t18-/m1/s1.
What are the key properties of (2R)-2-(1H-indol-3-yl)-1-methylsulfonyl-2H-quinoline?
(2R)-2-(1H-indol-3-yl)-1-methylsulfonyl-2H-quinoline has a molecular weight of 324.41 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-indol-3-yl)-1-methylsulfonyl-2H-quinoline is sourced from PubChem (CID 6962820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).