1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6-oxopyridazine-3-carboxamide

C21H17FN4O3 — CID 136523875

IUPAC1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6-oxopyridazine-3-carboxamide
SMILESCN1C(=O)CCc2cc(NC(=O)c3ccc(=O)n(-c4ccc(F)cc4)n3)ccc21
InChIInChI=1S/C21H17FN4O3/c1-25-18-9-5-15(12-13(18)2-10-19(25)27)23-21(29)17-8-11-20(28)26(24-17)16-6-3-14(22)4-7-16/h3-9,11-12H,2,10H2,1H3,(H,23,29)
InChIKeyMPPXKDWHBKBCEF-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.53
Rot. Bonds3

About 1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6-oxopyridazine-3-carboxamide

1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 136523875) has the molecular formula C21H17FN4O3 and a molecular weight of 392.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6-oxopyridazine-3-carboxamide
PubChem CID136523875
Molecular FormulaC21H17FN4O3
Molecular Weight392.39 g/mol
Exact Mass392.13
IUPAC Name1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6-oxopyridazine-3-carboxamide
SMILESCN1C(=O)CCc2cc(NC(=O)c3ccc(=O)n(-c4ccc(F)cc4)n3)ccc21
InChIInChI=1S/C21H17FN4O3/c1-25-18-9-5-15(12-13(18)2-10-19(25)27)23-21(29)17-8-11-20(28)26(24-17)16-6-3-14(22)4-7-16/h3-9,11-12H,2,10H2,1H3,(H,23,29)
InChIKeyMPPXKDWHBKBCEF-UHFFFAOYSA-N
XLogP2.53
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6-oxopyridazine-3-carboxamide with MolForge

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Related Compounds

1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376046
3-fluoro-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 18571247
2-chloro-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 27421932
1-(4-fluorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 55891706
1-(3,4-dichlorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376030
4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 18571261
1-(4-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-6-oxopyridazine-3-carboxamide
CID 55631550
2-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 40805138
1-(4-fluorophenyl)-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
CID 55631329
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide
CID 18571249
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea
CID 30376036
4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoic acid
CID 19760245

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6-oxopyridazine-3-carboxamide (CID 136523875) is 1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6-oxopyridazine-3-carboxamide is CN1C(=O)CCc2cc(NC(=O)c3ccc(=O)n(-c4ccc(F)cc4)n3)ccc21.
What is the InChIKey of 1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is MPPXKDWHBKBCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3/c1-25-18-9-5-15(12-13(18)2-10-19(25)27)23-21(29)17-8-11-20(28)26(24-17)16-6-3-14(22)4-7-16/h3-9,11-12H,2,10H2,1H3,(H,23,29).
What are the key properties of 1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6-oxopyridazine-3-carboxamide?
1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 392.39 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 136523875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).