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

C18H20N4O3S — CID 109122860

IUPAC6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1ccc(N2CCCc3ccccc32)nn1
InChIInChI=1S/C18H20N4O3S/c23-18(19-14-9-11-26(24,25)12-14)15-7-8-17(21-20-15)22-10-3-5-13-4-1-2-6-16(13)22/h1-2,4,6-8,14H,3,5,9-12H2,(H,19,23)
InChIKeyWDVVVLGSOMVSMV-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.48
Rot. Bonds3

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

6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide (PubChem CID 109122860) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
PubChem CID109122860
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1ccc(N2CCCc3ccccc32)nn1
InChIInChI=1S/C18H20N4O3S/c23-18(19-14-9-11-26(24,25)12-14)15-7-8-17(21-20-15)22-10-3-5-13-4-1-2-6-16(13)22/h1-2,4,6-8,14H,3,5,9-12H2,(H,19,23)
InChIKeyWDVVVLGSOMVSMV-UHFFFAOYSA-N
XLogP1.48
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide
CID 109123005
6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109351828
[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111976
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109106503
N-cycloheptyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboxamide
CID 109287476
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121417
N-cyclohexyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carboxamide
CID 109342051
6-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109688
N-(3-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridazine-3-carboxamide
CID 109127449
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118401
N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 110852783
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109204075

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide (CID 109122860) is 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1ccc(N2CCCc3ccccc32)nn1.
What is the InChIKey of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide?
The InChIKey is WDVVVLGSOMVSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c23-18(19-14-9-11-26(24,25)12-14)15-7-8-17(21-20-15)22-10-3-5-13-4-1-2-6-16(13)22/h1-2,4,6-8,14H,3,5,9-12H2,(H,19,23).
What are the key properties of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide?
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 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)pyridazine-3-carboxamide is sourced from PubChem (CID 109122860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).