6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide

C19H22N4O3S — CID 109123005

IUPAC6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(N2CCCc3ccccc32)nn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H22N4O3S/c1-22(15-10-12-27(25,26)13-15)19(24)16-8-9-18(21-20-16)23-11-4-6-14-5-2-3-7-17(14)23/h2-3,5,7-9,15H,4,6,10-13H2,1H3
InChIKeyFQDHRHCKLATQRM-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.82
Rot. Bonds3

About 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide

6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide (PubChem CID 109123005) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide
PubChem CID109123005
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(N2CCCc3ccccc32)nn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H22N4O3S/c1-22(15-10-12-27(25,26)13-15)19(24)16-8-9-18(21-20-16)23-11-4-6-14-5-2-3-7-17(14)23/h2-3,5,7-9,15H,4,6,10-13H2,1H3
InChIKeyFQDHRHCKLATQRM-UHFFFAOYSA-N
XLogP1.82
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide with MolForge

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111762
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 109122860
2-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidine-4-carboxamide
CID 109331479
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,4-triazin-3-amine
CID 112955228
N-(1,1-dioxothiolan-3-yl)-N-methyl-2,3-dihydroindole-1-carboxamide
CID 108989408
6-(3,4-dihydro-2H-quinolin-1-yl)-N-ethyl-N-phenylpyridazine-3-carboxamide
CID 109127430
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidin-4-amine
CID 112921934
[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111976
6-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide
CID 113200172
6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
CID 109160154
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine
CID 112923053
6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyrimidine-4-carboxamide
CID 109352694

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide (CID 109123005) is 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide is CN(C(=O)c1ccc(N2CCCc3ccccc32)nn1)C1CCS(=O)(=O)C1.
What is the InChIKey of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide?
The InChIKey is FQDHRHCKLATQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-22(15-10-12-27(25,26)13-15)19(24)16-8-9-18(21-20-16)23-11-4-6-14-5-2-3-7-17(14)23/h2-3,5,7-9,15H,4,6,10-13H2,1H3.
What are the key properties of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide?
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 109123005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).