methanesulfonic acid;3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one

C24H29N3O6S — CID 10299900

IUPACmethanesulfonic acid;3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one
SMILESCOCCN(C)CCOc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1.CS(=O)(=O)O
InChIInChI=1S/C23H25N3O3.CH4O3S/c1-26(9-11-28-2)10-12-29-18-7-8-21-17(13-18)15-22(24-21)19-14-16-5-3-4-6-20(16)25-23(19)27;1-5(2,3)4/h3-8,13-15,24H,9-12H2,1-2H3,(H,25,27);1H3,(H,2,3,4)
InChIKeyXFQLQZNBJNRVRQ-UHFFFAOYSA-N
MW487.58 g/mol
LogP3.14
Rot. Bonds8

About methanesulfonic acid;3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one

methanesulfonic acid;3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one (PubChem CID 10299900) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is methanesulfonic acid;3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Namemethanesulfonic acid;3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one
PubChem CID10299900
Molecular FormulaC24H29N3O6S
Molecular Weight487.58 g/mol
Exact Mass487.18
IUPAC Namemethanesulfonic acid;3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one
SMILESCOCCN(C)CCOc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1.CS(=O)(=O)O
InChIInChI=1S/C23H25N3O3.CH4O3S/c1-26(9-11-28-2)10-12-29-18-7-8-21-17(13-18)15-22(24-21)19-14-16-5-3-4-6-20(16)25-23(19)27;1-5(2,3)4/h3-8,13-15,24H,9-12H2,1-2H3,(H,25,27);1H3,(H,2,3,4)
InChIKeyXFQLQZNBJNRVRQ-UHFFFAOYSA-N
XLogP3.14
TPSA124.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one?
The IUPAC name of methanesulfonic acid;3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one (CID 10299900) is methanesulfonic acid;3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for methanesulfonic acid;3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for methanesulfonic acid;3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one is COCCN(C)CCOc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one?
The InChIKey is XFQLQZNBJNRVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3.CH4O3S/c1-26(9-11-28-2)10-12-29-18-7-8-21-17(13-18)15-22(24-21)19-14-16-5-3-4-6-20(16)25-23(19)27;1-5(2,3)4/h3-8,13-15,24H,9-12H2,1-2H3,(H,25,27);1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one?
methanesulfonic acid;3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one has a molecular weight of 487.58 g/mol, XLogP of 3.14, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 10299900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).