N-[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]-4-fluorobenzamide

C20H17FN4O — CID 113046140

IUPACN-[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCCc3ccccc32)nn1)c1ccc(F)cc1
InChIInChI=1S/C20H17FN4O/c21-16-9-7-15(8-10-16)20(26)22-18-11-12-19(24-23-18)25-13-3-5-14-4-1-2-6-17(14)25/h1-2,4,6-12H,3,5,13H2,(H,22,23,26)
InChIKeyGIGJJURPPKOOCD-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.95
Rot. Bonds3

About N-[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]-4-fluorobenzamide

N-[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]-4-fluorobenzamide (PubChem CID 113046140) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]-4-fluorobenzamide
PubChem CID113046140
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC NameN-[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCCc3ccccc32)nn1)c1ccc(F)cc1
InChIInChI=1S/C20H17FN4O/c21-16-9-7-15(8-10-16)20(26)22-18-11-12-19(24-23-18)25-13-3-5-14-4-1-2-6-17(14)25/h1-2,4,6-12H,3,5,13H2,(H,22,23,26)
InChIKeyGIGJJURPPKOOCD-UHFFFAOYSA-N
XLogP3.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]pyridine-3-carboxamide
CID 113046065
N-[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]pentanamide
CID 113046126
N-[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 113046159
N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-4-fluorobenzamide
CID 113031771
N-(2,4-difluorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
CID 109162499
6-(3,4-dihydro-2H-quinolin-1-yl)-N-pyridin-2-ylpyridine-3-carboxamide
CID 84570413
N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]cyclohexanecarboxamide
CID 113046028
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 113016676
N-(4-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
CID 109162476
6-(3,4-dihydro-2H-quinolin-1-yl)-N-methylpyridine-3-carboxamide
CID 84570471
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 84576434
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 84570395

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]-4-fluorobenzamide?
The IUPAC name of N-[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]-4-fluorobenzamide (CID 113046140) is N-[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]-4-fluorobenzamide?
The canonical SMILES for N-[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]-4-fluorobenzamide is O=C(Nc1ccc(N2CCCc3ccccc32)nn1)c1ccc(F)cc1.
What is the InChIKey of N-[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]-4-fluorobenzamide?
The InChIKey is GIGJJURPPKOOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c21-16-9-7-15(8-10-16)20(26)22-18-11-12-19(24-23-18)25-13-3-5-14-4-1-2-6-17(14)25/h1-2,4,6-12H,3,5,13H2,(H,22,23,26).
What are the key properties of N-[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]-4-fluorobenzamide?
N-[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]-4-fluorobenzamide has a molecular weight of 348.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 113046140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).