5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide

C19H19N5O3S — CID 109285441

IUPAC5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide
SMILESCN(c1cnc(C(=O)Nc2cccc3cccnc23)cn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H19N5O3S/c1-24(14-7-9-28(26,27)12-14)17-11-21-16(10-22-17)19(25)23-15-6-2-4-13-5-3-8-20-18(13)15/h2-6,8,10-11,14H,7,9,12H2,1H3,(H,23,25)
InChIKeyJIKBUJPMCPEDHM-UHFFFAOYSA-N
MW397.46 g/mol
LogP1.90
Rot. Bonds4

About 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide

5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide (PubChem CID 109285441) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide
PubChem CID109285441
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC Name5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide
SMILESCN(c1cnc(C(=O)Nc2cccc3cccnc23)cn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H19N5O3S/c1-24(14-7-9-28(26,27)12-14)17-11-21-16(10-22-17)19(25)23-15-6-2-4-13-5-3-8-20-18(13)15/h2-6,8,10-11,14H,7,9,12H2,1H3,(H,23,25)
InChIKeyJIKBUJPMCPEDHM-UHFFFAOYSA-N
XLogP1.90
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide 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

1-(1,1-dioxothiolan-3-yl)-1-methyl-3-quinolin-8-ylurea
CID 108989443
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-phenylpyrazine-2-carboxamide
CID 109285400
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282934
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109285416
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271203
1-N'-(1,1-dioxothiolan-3-yl)-1-N'-methyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108978101
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109193310
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-quinolin-8-ylpropanamide
CID 113121709
3-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112955289
5-chloro-N-quinolin-8-ylpyrazine-2-carboxamide
CID 103817057
1-(1,1-dioxothiolan-3-yl)-3-quinolin-8-ylurea
CID 47032833
5-(methylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 104639694

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide?
The IUPAC name of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide (CID 109285441) is 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide?
The canonical SMILES for 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide is CN(c1cnc(C(=O)Nc2cccc3cccnc23)cn1)C1CCS(=O)(=O)C1.
What is the InChIKey of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide?
The InChIKey is JIKBUJPMCPEDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-24(14-7-9-28(26,27)12-14)17-11-21-16(10-22-17)19(25)23-15-6-2-4-13-5-3-8-20-18(13)15/h2-6,8,10-11,14H,7,9,12H2,1H3,(H,23,25).
What are the key properties of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide?
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide is sourced from PubChem (CID 109285441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).