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

C22H20N4O2 — CID 109127449

IUPACN-(3-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridazine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(N3CCCc4ccccc43)nn2)c1
InChIInChI=1S/C22H20N4O2/c1-15(27)17-7-4-9-18(14-17)23-22(28)19-11-12-21(25-24-19)26-13-5-8-16-6-2-3-10-20(16)26/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,23,28)
InChIKeyUOTMNUXPVGIDPM-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.02
Rot. Bonds4

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

N-(3-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridazine-3-carboxamide (PubChem CID 109127449) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridazine-3-carboxamide
PubChem CID109127449
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-(3-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridazine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(N3CCCc4ccccc43)nn2)c1
InChIInChI=1S/C22H20N4O2/c1-15(27)17-7-4-9-18(14-17)23-22(28)19-11-12-21(25-24-19)26-13-5-8-16-6-2-3-10-20(16)26/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,23,28)
InChIKeyUOTMNUXPVGIDPM-UHFFFAOYSA-N
XLogP4.02
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridazine-3-carboxamide (CID 109127449) is N-(3-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridazine-3-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc(N3CCCc4ccccc43)nn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridazine-3-carboxamide?
The InChIKey is UOTMNUXPVGIDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15(27)17-7-4-9-18(14-17)23-22(28)19-11-12-21(25-24-19)26-13-5-8-16-6-2-3-10-20(16)26/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,23,28).
What are the key properties of N-(3-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridazine-3-carboxamide?
N-(3-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridazine-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109127449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).