5-[3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]-6-phenylmethoxyquinoline

C38H30N2O4S — CID 164683381

IUPAC5-[3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]-6-phenylmethoxyquinoline
SMILESCOc1ccc(-c2c(-c3c(OCc4ccccc4)ccc4ncccc34)n(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C38H30N2O4S/c1-26-14-20-30(21-15-26)45(41,42)40-34-13-7-6-11-32(34)36(28-16-18-29(43-2)19-17-28)38(40)37-31-12-8-24-39-33(31)22-23-35(37)44-25-27-9-4-3-5-10-27/h3-24H,25H2,1-2H3
InChIKeyREHSJIOUGNMVCY-UHFFFAOYSA-N
MW610.74 g/mol
LogP8.66
Rot. Bonds8

About 5-[3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]-6-phenylmethoxyquinoline

5-[3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]-6-phenylmethoxyquinoline (PubChem CID 164683381) has the molecular formula C38H30N2O4S and a molecular weight of 610.74 g/mol. Its IUPAC name is 5-[3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]-6-phenylmethoxyquinoline.

Molecular Properties

Compound Name5-[3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]-6-phenylmethoxyquinoline
PubChem CID164683381
Molecular FormulaC38H30N2O4S
Molecular Weight610.74 g/mol
Exact Mass610.19
IUPAC Name5-[3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]-6-phenylmethoxyquinoline
SMILESCOc1ccc(-c2c(-c3c(OCc4ccccc4)ccc4ncccc34)n(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C38H30N2O4S/c1-26-14-20-30(21-15-26)45(41,42)40-34-13-7-6-11-32(34)36(28-16-18-29(43-2)19-17-28)38(40)37-31-12-8-24-39-33(31)22-23-35(37)44-25-27-9-4-3-5-10-27/h3-24H,25H2,1-2H3
InChIKeyREHSJIOUGNMVCY-UHFFFAOYSA-N
XLogP8.66
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.74
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexyl]-4-[4-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexylsulfamoyl]phenyl]benzenesulfonamide
CID 9897637
{2-[5-Methoxy-1-(toluene-4-sulfonyl)-1H-indol-3-yl]-ethyl}-dimethyl-amine
CID 9907512
{2-[5-Methoxy-1-(naphthalene-2-sulfonyl)-1H-indol-3-yl]-ethyl}-dimethyl-amine
CID 9953284
5-Methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10024749
1-Benzenesulfonyl-5-methoxy-3-(2-piperidin-1-yl-ethyl)-1H-indole
CID 10111488
N,N-dimethyl 2-(1-benzenesulphonyl-5-benzyloxy-1H-indol-3-yl)ethylamine
CID 11729763
Benzyloxyisoquinoline, 7
CID 42618164
1-Benzenesulfonyl-5-methoxy-3-[2-(4-methyl-piperazin-1-yl)-ethyl]-1H-indole
CID 11811724
[2-(1-Benzenesulfonyl-5-methoxy-1H-indol-3-yl)-ethyl]-benzyl-methyl-amine
CID 23786472
[6-Methoxy-9-(quinoline-8-sulfonyl)-2,3,4,9-tetrahydro-1H-carbazol-4-ylmethyl]-dimethyl-amine
CID 44386822
4-[5-Benzyloxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-indole-1-sulfonyl]-phenylamine
CID 44388980
5-Methoxy-1-(naphthalene-2-sulfonyl)-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 44389023

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]-6-phenylmethoxyquinoline?
The IUPAC name of 5-[3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]-6-phenylmethoxyquinoline (CID 164683381) is 5-[3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]-6-phenylmethoxyquinoline.
What is the SMILES notation for 5-[3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]-6-phenylmethoxyquinoline?
The canonical SMILES for 5-[3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]-6-phenylmethoxyquinoline is COc1ccc(-c2c(-c3c(OCc4ccccc4)ccc4ncccc34)n(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)cc1.
What is the InChIKey of 5-[3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]-6-phenylmethoxyquinoline?
The InChIKey is REHSJIOUGNMVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N2O4S/c1-26-14-20-30(21-15-26)45(41,42)40-34-13-7-6-11-32(34)36(28-16-18-29(43-2)19-17-28)38(40)37-31-12-8-24-39-33(31)22-23-35(37)44-25-27-9-4-3-5-10-27/h3-24H,25H2,1-2H3.
What are the key properties of 5-[3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]-6-phenylmethoxyquinoline?
5-[3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]-6-phenylmethoxyquinoline has a molecular weight of 610.74 g/mol, XLogP of 8.66, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]-6-phenylmethoxyquinoline is sourced from PubChem (CID 164683381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).