N-methyl-N-[2-(methylamino)ethyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide

C15H18N4O3S — CID 68938446

IUPACN-methyl-N-[2-(methylamino)ethyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
SMILESCNCCN(C)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]ccc3c2c1
InChIInChI=1S/C15H18N4O3S/c1-16-7-8-19(2)23(21,22)10-3-4-13-12(9-10)11-5-6-17-14(11)15(20)18-13/h3-6,9,16-17H,7-8H2,1-2H3,(H,18,20)
InChIKeyUBVGMVZWOURHBV-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.85
Rot. Bonds5

About N-methyl-N-[2-(methylamino)ethyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide

N-methyl-N-[2-(methylamino)ethyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide (PubChem CID 68938446) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)ethyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)ethyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
PubChem CID68938446
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-methyl-N-[2-(methylamino)ethyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
SMILESCNCCN(C)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]ccc3c2c1
InChIInChI=1S/C15H18N4O3S/c1-16-7-8-19(2)23(21,22)10-3-4-13-12(9-10)11-5-6-17-14(11)15(20)18-13/h3-6,9,16-17H,7-8H2,1-2H3,(H,18,20)
InChIKeyUBVGMVZWOURHBV-UHFFFAOYSA-N
XLogP0.85
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(methylamino)ethyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide?
The IUPAC name of N-methyl-N-[2-(methylamino)ethyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide (CID 68938446) is N-methyl-N-[2-(methylamino)ethyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-(methylamino)ethyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide?
The canonical SMILES for N-methyl-N-[2-(methylamino)ethyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide is CNCCN(C)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]ccc3c2c1.
What is the InChIKey of N-methyl-N-[2-(methylamino)ethyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide?
The InChIKey is UBVGMVZWOURHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-16-7-8-19(2)23(21,22)10-3-4-13-12(9-10)11-5-6-17-14(11)15(20)18-13/h3-6,9,16-17H,7-8H2,1-2H3,(H,18,20).
What are the key properties of N-methyl-N-[2-(methylamino)ethyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide?
N-methyl-N-[2-(methylamino)ethyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide has a molecular weight of 334.40 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylamino)ethyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide is sourced from PubChem (CID 68938446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).