6-(2-methoxyphenyl)-7-methyl-5-(4-methylphenyl)sulfonylindolo[1,2-a]quinoline

C31H25NO3S — CID 162409826

IUPAC6-(2-methoxyphenyl)-7-methyl-5-(4-methylphenyl)sulfonylindolo[1,2-a]quinoline
SMILESCOc1ccccc1-c1c(S(=O)(=O)c2ccc(C)cc2)c2ccccc2n2c1c(C)c1ccccc12
InChIInChI=1S/C31H25NO3S/c1-20-16-18-22(19-17-20)36(33,34)31-24-11-5-8-14-27(24)32-26-13-7-4-10-23(26)21(2)30(32)29(31)25-12-6-9-15-28(25)35-3/h4-19H,1-3H3
InChIKeyFFXYPXQSFQKMLB-UHFFFAOYSA-N
MW491.61 g/mol
LogP7.37
Rot. Bonds4

About 6-(2-methoxyphenyl)-7-methyl-5-(4-methylphenyl)sulfonylindolo[1,2-a]quinoline

6-(2-methoxyphenyl)-7-methyl-5-(4-methylphenyl)sulfonylindolo[1,2-a]quinoline (PubChem CID 162409826) has the molecular formula C31H25NO3S and a molecular weight of 491.61 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-7-methyl-5-(4-methylphenyl)sulfonylindolo[1,2-a]quinoline.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-7-methyl-5-(4-methylphenyl)sulfonylindolo[1,2-a]quinoline
PubChem CID162409826
Molecular FormulaC31H25NO3S
Molecular Weight491.61 g/mol
Exact Mass491.16
IUPAC Name6-(2-methoxyphenyl)-7-methyl-5-(4-methylphenyl)sulfonylindolo[1,2-a]quinoline
SMILESCOc1ccccc1-c1c(S(=O)(=O)c2ccc(C)cc2)c2ccccc2n2c1c(C)c1ccccc12
InChIInChI=1S/C31H25NO3S/c1-20-16-18-22(19-17-20)36(33,34)31-24-11-5-8-14-27(24)32-26-13-7-4-10-23(26)21(2)30(32)29(31)25-12-6-9-15-28(25)35-3/h4-19H,1-3H3
InChIKeyFFXYPXQSFQKMLB-UHFFFAOYSA-N
XLogP7.37
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.61
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-7-methyl-5-(4-methylphenyl)sulfonylindolo[1,2-a]quinoline?
The IUPAC name of 6-(2-methoxyphenyl)-7-methyl-5-(4-methylphenyl)sulfonylindolo[1,2-a]quinoline (CID 162409826) is 6-(2-methoxyphenyl)-7-methyl-5-(4-methylphenyl)sulfonylindolo[1,2-a]quinoline.
What is the SMILES notation for 6-(2-methoxyphenyl)-7-methyl-5-(4-methylphenyl)sulfonylindolo[1,2-a]quinoline?
The canonical SMILES for 6-(2-methoxyphenyl)-7-methyl-5-(4-methylphenyl)sulfonylindolo[1,2-a]quinoline is COc1ccccc1-c1c(S(=O)(=O)c2ccc(C)cc2)c2ccccc2n2c1c(C)c1ccccc12.
What is the InChIKey of 6-(2-methoxyphenyl)-7-methyl-5-(4-methylphenyl)sulfonylindolo[1,2-a]quinoline?
The InChIKey is FFXYPXQSFQKMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25NO3S/c1-20-16-18-22(19-17-20)36(33,34)31-24-11-5-8-14-27(24)32-26-13-7-4-10-23(26)21(2)30(32)29(31)25-12-6-9-15-28(25)35-3/h4-19H,1-3H3.
What are the key properties of 6-(2-methoxyphenyl)-7-methyl-5-(4-methylphenyl)sulfonylindolo[1,2-a]quinoline?
6-(2-methoxyphenyl)-7-methyl-5-(4-methylphenyl)sulfonylindolo[1,2-a]quinoline has a molecular weight of 491.61 g/mol, XLogP of 7.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-7-methyl-5-(4-methylphenyl)sulfonylindolo[1,2-a]quinoline is sourced from PubChem (CID 162409826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).