1-(2-fluorophenyl)-6-methyl-4-oxo-N-quinolin-5-ylpyridazine-3-carboxamide

C21H15FN4O2 — CID 26706128

IUPAC1-(2-fluorophenyl)-6-methyl-4-oxo-N-quinolin-5-ylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cccc3ncccc23)nn1-c1ccccc1F
InChIInChI=1S/C21H15FN4O2/c1-13-12-19(27)20(25-26(13)18-10-3-2-7-15(18)22)21(28)24-17-9-4-8-16-14(17)6-5-11-23-16/h2-12H,1H3,(H,24,28)
InChIKeyDDFKMCGXQZSYJD-UHFFFAOYSA-N
MW374.38 g/mol
LogP3.48
Rot. Bonds3

About 1-(2-fluorophenyl)-6-methyl-4-oxo-N-quinolin-5-ylpyridazine-3-carboxamide

1-(2-fluorophenyl)-6-methyl-4-oxo-N-quinolin-5-ylpyridazine-3-carboxamide (PubChem CID 26706128) has the molecular formula C21H15FN4O2 and a molecular weight of 374.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-methyl-4-oxo-N-quinolin-5-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-methyl-4-oxo-N-quinolin-5-ylpyridazine-3-carboxamide
PubChem CID26706128
Molecular FormulaC21H15FN4O2
Molecular Weight374.38 g/mol
Exact Mass374.12
IUPAC Name1-(2-fluorophenyl)-6-methyl-4-oxo-N-quinolin-5-ylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cccc3ncccc23)nn1-c1ccccc1F
InChIInChI=1S/C21H15FN4O2/c1-13-12-19(27)20(25-26(13)18-10-3-2-7-15(18)22)21(28)24-17-9-4-8-16-14(17)6-5-11-23-16/h2-12H,1H3,(H,24,28)
InChIKeyDDFKMCGXQZSYJD-UHFFFAOYSA-N
XLogP3.48
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
CID 26687881
N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 56572917
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 46636739
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-thiophen-2-ylphenyl)pyridazine-3-carboxamide
CID 18284299
N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 55413362
1-(2-fluorophenyl)-6-methyl-N-(4-methylsulfanylphenyl)-4-oxopyridazine-3-carboxamide
CID 9180345
N-(2,3-difluorophenyl)-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 60596494
N-[4-(dimethylamino)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 92517374
N-(3-ethynylphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 18147874
1-(2-fluorophenyl)-6-methyl-N-[2-(methylamino)propyl]-4-oxopyridazine-3-carboxamide
CID 120827965
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 134008651
1-(2-fluorophenyl)-6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-oxopyridazine-3-carboxamide
CID 31156957

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-quinolin-5-ylpyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-quinolin-5-ylpyridazine-3-carboxamide (CID 26706128) is 1-(2-fluorophenyl)-6-methyl-4-oxo-N-quinolin-5-ylpyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-quinolin-5-ylpyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-quinolin-5-ylpyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2cccc3ncccc23)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-quinolin-5-ylpyridazine-3-carboxamide?
The InChIKey is DDFKMCGXQZSYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O2/c1-13-12-19(27)20(25-26(13)18-10-3-2-7-15(18)22)21(28)24-17-9-4-8-16-14(17)6-5-11-23-16/h2-12H,1H3,(H,24,28).
What are the key properties of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-quinolin-5-ylpyridazine-3-carboxamide?
1-(2-fluorophenyl)-6-methyl-4-oxo-N-quinolin-5-ylpyridazine-3-carboxamide has a molecular weight of 374.38 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-quinolin-5-ylpyridazine-3-carboxamide is sourced from PubChem (CID 26706128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).