2-ethyl-5,6-bis(3-fluoro-4-methoxyphenyl)-4,5-dihydropyridazin-3-one

C20H20F2N2O3 — CID 165389188

IUPAC2-ethyl-5,6-bis(3-fluoro-4-methoxyphenyl)-4,5-dihydropyridazin-3-one
SMILESCCN1N=C(c2ccc(OC)c(F)c2)C(c2ccc(OC)c(F)c2)CC1=O
InChIInChI=1S/C20H20F2N2O3/c1-4-24-19(25)11-14(12-5-7-17(26-2)15(21)9-12)20(23-24)13-6-8-18(27-3)16(22)10-13/h5-10,14H,4,11H2,1-3H3
InChIKeyZJQWLAQSBCCYKQ-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.72
Rot. Bonds5

About 2-ethyl-5,6-bis(3-fluoro-4-methoxyphenyl)-4,5-dihydropyridazin-3-one

2-ethyl-5,6-bis(3-fluoro-4-methoxyphenyl)-4,5-dihydropyridazin-3-one (PubChem CID 165389188) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-ethyl-5,6-bis(3-fluoro-4-methoxyphenyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-5,6-bis(3-fluoro-4-methoxyphenyl)-4,5-dihydropyridazin-3-one
PubChem CID165389188
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name2-ethyl-5,6-bis(3-fluoro-4-methoxyphenyl)-4,5-dihydropyridazin-3-one
SMILESCCN1N=C(c2ccc(OC)c(F)c2)C(c2ccc(OC)c(F)c2)CC1=O
InChIInChI=1S/C20H20F2N2O3/c1-4-24-19(25)11-14(12-5-7-17(26-2)15(21)9-12)20(23-24)13-6-8-18(27-3)16(22)10-13/h5-10,14H,4,11H2,1-3H3
InChIKeyZJQWLAQSBCCYKQ-UHFFFAOYSA-N
XLogP3.72
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6-bis(3-fluoro-4-methoxyphenyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-ethyl-5,6-bis(3-fluoro-4-methoxyphenyl)-4,5-dihydropyridazin-3-one (CID 165389188) is 2-ethyl-5,6-bis(3-fluoro-4-methoxyphenyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-ethyl-5,6-bis(3-fluoro-4-methoxyphenyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-ethyl-5,6-bis(3-fluoro-4-methoxyphenyl)-4,5-dihydropyridazin-3-one is CCN1N=C(c2ccc(OC)c(F)c2)C(c2ccc(OC)c(F)c2)CC1=O.
What is the InChIKey of 2-ethyl-5,6-bis(3-fluoro-4-methoxyphenyl)-4,5-dihydropyridazin-3-one?
The InChIKey is ZJQWLAQSBCCYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O3/c1-4-24-19(25)11-14(12-5-7-17(26-2)15(21)9-12)20(23-24)13-6-8-18(27-3)16(22)10-13/h5-10,14H,4,11H2,1-3H3.
What are the key properties of 2-ethyl-5,6-bis(3-fluoro-4-methoxyphenyl)-4,5-dihydropyridazin-3-one?
2-ethyl-5,6-bis(3-fluoro-4-methoxyphenyl)-4,5-dihydropyridazin-3-one has a molecular weight of 374.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6-bis(3-fluoro-4-methoxyphenyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 165389188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).