6,6-dimethyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-7,8-dihydroquinolin-5-one

C26H24N2O3S — CID 53375547

IUPAC6,6-dimethyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-7,8-dihydroquinolin-5-one
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccc4c(n3)CCC(C)(C)C4=O)c3ccccc32)cc1
InChIInChI=1S/C26H24N2O3S/c1-17-8-10-18(11-9-17)32(30,31)28-16-21(19-6-4-5-7-24(19)28)22-13-12-20-23(27-22)14-15-26(2,3)25(20)29/h4-13,16H,14-15H2,1-3H3
InChIKeySFALKTGQUFCZQC-UHFFFAOYSA-N
MW444.56 g/mol
LogP5.40
Rot. Bonds3

About 6,6-dimethyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-7,8-dihydroquinolin-5-one

6,6-dimethyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-7,8-dihydroquinolin-5-one (PubChem CID 53375547) has the molecular formula C26H24N2O3S and a molecular weight of 444.56 g/mol. Its IUPAC name is 6,6-dimethyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-7,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name6,6-dimethyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-7,8-dihydroquinolin-5-one
PubChem CID53375547
Molecular FormulaC26H24N2O3S
Molecular Weight444.56 g/mol
Exact Mass444.15
IUPAC Name6,6-dimethyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-7,8-dihydroquinolin-5-one
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccc4c(n3)CCC(C)(C)C4=O)c3ccccc32)cc1
InChIInChI=1S/C26H24N2O3S/c1-17-8-10-18(11-9-17)32(30,31)28-16-21(19-6-4-5-7-24(19)28)22-13-12-20-23(27-22)14-15-26(2,3)25(20)29/h4-13,16H,14-15H2,1-3H3
InChIKeySFALKTGQUFCZQC-UHFFFAOYSA-N
XLogP5.40
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole
CID 11244980
4-N-cyclobutyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
CID 90189463
1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)indole
CID 101221610
4-[1-(4-methylphenyl)sulfonylindol-3-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
CID 155806653
2-imino-5-[[1-(4-methylphenyl)sulfonylindol-3-yl]methylidene]-1,3-thiazolidin-4-one
CID 171127608
3-[bis(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylindole
CID 132561494
1-(4-methylphenyl)sulfonyl-3-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]indole
CID 66852552
1-(4-methylphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole
CID 69186511
N,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine
CID 177498842
4-[1-(4-bromophenyl)sulfonylindol-3-yl]pyrimidin-2-amine
CID 118737109
methyl 2-amino-2-[1-(4-methylphenyl)sulfonylindol-3-yl]acetate
CID 134818170
1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole
CID 58017354

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-7,8-dihydroquinolin-5-one?
The IUPAC name of 6,6-dimethyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-7,8-dihydroquinolin-5-one (CID 53375547) is 6,6-dimethyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-7,8-dihydroquinolin-5-one.
What is the SMILES notation for 6,6-dimethyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-7,8-dihydroquinolin-5-one?
The canonical SMILES for 6,6-dimethyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-7,8-dihydroquinolin-5-one is Cc1ccc(S(=O)(=O)n2cc(-c3ccc4c(n3)CCC(C)(C)C4=O)c3ccccc32)cc1.
What is the InChIKey of 6,6-dimethyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-7,8-dihydroquinolin-5-one?
The InChIKey is SFALKTGQUFCZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S/c1-17-8-10-18(11-9-17)32(30,31)28-16-21(19-6-4-5-7-24(19)28)22-13-12-20-23(27-22)14-15-26(2,3)25(20)29/h4-13,16H,14-15H2,1-3H3.
What are the key properties of 6,6-dimethyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-7,8-dihydroquinolin-5-one?
6,6-dimethyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-7,8-dihydroquinolin-5-one has a molecular weight of 444.56 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-7,8-dihydroquinolin-5-one is sourced from PubChem (CID 53375547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).