methanesulfonic acid;3-[5-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one

C25H28N4O5S — CID 10163766

IUPACmethanesulfonic acid;3-[5-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
SMILESCN1CCN(Cc2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CCC1=O.CS(=O)(=O)O
InChIInChI=1S/C24H24N4O2.CH4O3S/c1-27-10-11-28(9-8-23(27)29)15-16-6-7-21-18(12-16)14-22(25-21)19-13-17-4-2-3-5-20(17)26-24(19)30;1-5(2,3)4/h2-7,12-14,25H,8-11,15H2,1H3,(H,26,30);1H3,(H,2,3,4)
InChIKeyGGUZPWYAFLBOKP-UHFFFAOYSA-N
MW496.59 g/mol
LogP2.84
Rot. Bonds3

About methanesulfonic acid;3-[5-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one

methanesulfonic acid;3-[5-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one (PubChem CID 10163766) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is methanesulfonic acid;3-[5-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Namemethanesulfonic acid;3-[5-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
PubChem CID10163766
Molecular FormulaC25H28N4O5S
Molecular Weight496.59 g/mol
Exact Mass496.18
IUPAC Namemethanesulfonic acid;3-[5-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
SMILESCN1CCN(Cc2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CCC1=O.CS(=O)(=O)O
InChIInChI=1S/C24H24N4O2.CH4O3S/c1-27-10-11-28(9-8-23(27)29)15-16-6-7-21-18(12-16)14-22(25-21)19-13-17-4-2-3-5-20(17)26-24(19)30;1-5(2,3)4/h2-7,12-14,25H,8-11,15H2,1H3,(H,26,30);1H3,(H,2,3,4)
InChIKeyGGUZPWYAFLBOKP-UHFFFAOYSA-N
XLogP2.84
TPSA126.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze methanesulfonic acid;3-[5-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1H-quinolin-2-one;methanesulfonic acid
CID 10164597
3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 10131514
N-[[1-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperidin-4-yl]methyl]methanesulfonamide
CID 10226748
3-[5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668224
ethyl 3-[4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]propanoate
CID 20696666
3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668265
4-methyl-1-[(2-methyl-1H-indol-5-yl)methyl]-1,4-diazepan-5-one
CID 71133335
3-[5-[(3-aminopyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668304
3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 174398264
3-[5-(methylaminomethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 142218394
1-[[2-(5-ethynyl-4-methyl-1H-pyrazol-3-yl)-1H-indol-5-yl]methyl]-4-methyl-1,4-diazepan-5-one
CID 142221993
3-[5-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 20696637

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;3-[5-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one?
The IUPAC name of methanesulfonic acid;3-[5-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one (CID 10163766) is methanesulfonic acid;3-[5-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for methanesulfonic acid;3-[5-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for methanesulfonic acid;3-[5-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one is CN1CCN(Cc2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CCC1=O.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;3-[5-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one?
The InChIKey is GGUZPWYAFLBOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2.CH4O3S/c1-27-10-11-28(9-8-23(27)29)15-16-6-7-21-18(12-16)14-22(25-21)19-13-17-4-2-3-5-20(17)26-24(19)30;1-5(2,3)4/h2-7,12-14,25H,8-11,15H2,1H3,(H,26,30);1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;3-[5-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one?
methanesulfonic acid;3-[5-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one has a molecular weight of 496.59 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;3-[5-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 10163766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).