6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid

C24H24N4O5S — CID 22341793

IUPAC6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid
SMILESCS(=O)(=O)N1CCN(Cc2ccc3cc(-c4cc5ccccc5[nH]c4=O)n(C(=O)O)c3c2)CC1
InChIInChI=1S/C24H24N4O5S/c1-34(32,33)27-10-8-26(9-11-27)15-16-6-7-18-14-22(28(24(30)31)21(18)12-16)19-13-17-4-2-3-5-20(17)25-23(19)29/h2-7,12-14H,8-11,15H2,1H3,(H,25,29)(H,30,31)
InChIKeyVDTNNWOYQZWFQN-UHFFFAOYSA-N
MW480.55 g/mol
LogP2.75
Rot. Bonds4

About 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid

6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid (PubChem CID 22341793) has the molecular formula C24H24N4O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid.

Molecular Properties

Compound Name6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid
PubChem CID22341793
Molecular FormulaC24H24N4O5S
Molecular Weight480.55 g/mol
Exact Mass480.15
IUPAC Name6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid
SMILESCS(=O)(=O)N1CCN(Cc2ccc3cc(-c4cc5ccccc5[nH]c4=O)n(C(=O)O)c3c2)CC1
InChIInChI=1S/C24H24N4O5S/c1-34(32,33)27-10-8-26(9-11-27)15-16-6-7-18-14-22(28(24(30)31)21(18)12-16)19-13-17-4-2-3-5-20(17)25-23(19)29/h2-7,12-14H,8-11,15H2,1H3,(H,25,29)(H,30,31)
InChIKeyVDTNNWOYQZWFQN-UHFFFAOYSA-N
XLogP2.75
TPSA115.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid with MolForge

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Related Compounds

Indolyl quinolinone deriv. 14
CID 5329380
3-[5-(piperazine-1-sulfonyl)-1H-indol-2-yl]-1,2-dihydroquinolin-2-one
CID 5329381
3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-N-ethylsulfonyl-2-phenylindole-6-carboxamide
CID 11283333
N-[2-(4-benzyl-piperidine-1-carbonyl)-1H-indol-5yl]-methanesulfonamide
CID 16110222
(3S,4S)-1-(butylsulfonyl)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)methyl)benzamido)pyrrolidine-3-carboxamide
CID 44431850
3-cyclohexyl-N-(2-dimethylaminoethylsulfonyl)-1-[2-(dimethylamino)-2-oxo-ethyl]-2-phenyl-indole-6-carboxamide
CID 44441608
18-Cyclohexyl-10-methyl-11,11-dioxo-19-phenyl-11lambda6-thia-1,4,10,12-tetrazatricyclo[12.5.2.017,20]henicosa-14(21),15,17(20),18-tetraene-3,13-dione
CID 59549091
2-[[3-Cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-phenylindole-6-carbonyl]sulfamoyl]acetic acid
CID 44441612
N-[2-(2-methylindol-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzamide
CID 90680548
N-(21-methyl-14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-7-yl)methanesulfonamide
CID 164620926
2-(3-(3-Benzyl-4-oxo-3,4-dihydrophthalazin-1-yl)-2-methyl-1H-indol-1-yl)-N-(methylsulfonyl)acetamide
CID 52919417
5-(methanesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
CID 127050509

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid?
The IUPAC name of 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid (CID 22341793) is 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid.
What is the SMILES notation for 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid?
The canonical SMILES for 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid is CS(=O)(=O)N1CCN(Cc2ccc3cc(-c4cc5ccccc5[nH]c4=O)n(C(=O)O)c3c2)CC1.
What is the InChIKey of 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid?
The InChIKey is VDTNNWOYQZWFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5S/c1-34(32,33)27-10-8-26(9-11-27)15-16-6-7-18-14-22(28(24(30)31)21(18)12-16)19-13-17-4-2-3-5-20(17)25-23(19)29/h2-7,12-14H,8-11,15H2,1H3,(H,25,29)(H,30,31).
What are the key properties of 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid?
6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid has a molecular weight of 480.55 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid is sourced from PubChem (CID 22341793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).