1-butyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxopyridazine-3-carboxamide

C18H20N4O4 — CID 45351371

IUPAC1-butyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)O3)ccc1=O
InChIInChI=1S/C18H20N4O4/c1-3-4-9-22-16(23)8-6-13(21-22)18(25)19-12-5-7-15-14(10-12)20-17(24)11(2)26-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,19,25)(H,20,24)
InChIKeyAEADHXNGORRDGY-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.02
Rot. Bonds5

About 1-butyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxopyridazine-3-carboxamide

1-butyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 45351371) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-butyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxopyridazine-3-carboxamide
PubChem CID45351371
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name1-butyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)O3)ccc1=O
InChIInChI=1S/C18H20N4O4/c1-3-4-9-22-16(23)8-6-13(21-22)18(25)19-12-5-7-15-14(10-12)20-17(24)11(2)26-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,19,25)(H,20,24)
InChIKeyAEADHXNGORRDGY-UHFFFAOYSA-N
XLogP2.02
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-butyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxopyridazine-3-carboxamide with MolForge

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Related Compounds

(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]prop-2-enamide
CID 9145853
1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 42161973
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 46524350
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 18081113
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]furan-3-carboxamide
CID 51640081
1-butyl-N-[4-(diethylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 30725741
1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55515060
4-(diethylamino)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 40973912
1-(2,6-difluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide
CID 119042225
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 45155060

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxopyridazine-3-carboxamide (CID 45351371) is 1-butyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)O3)ccc1=O.
What is the InChIKey of 1-butyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is AEADHXNGORRDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-3-4-9-22-16(23)8-6-13(21-22)18(25)19-12-5-7-15-14(10-12)20-17(24)11(2)26-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,19,25)(H,20,24).
What are the key properties of 1-butyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 45351371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).