2-morpholin-4-ylethyl N-[3-[[1-(3,4-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate

C24H24F2N4O4 — CID 53308326

IUPAC2-morpholin-4-ylethyl N-[3-[[1-(3,4-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate
SMILESO=C(Nc1cccc(Cc2nn(-c3ccc(F)c(F)c3)ccc2=O)c1)OCCN1CCOCC1
InChIInChI=1S/C24H24F2N4O4/c25-20-5-4-19(16-21(20)26)30-7-6-23(31)22(28-30)15-17-2-1-3-18(14-17)27-24(32)34-13-10-29-8-11-33-12-9-29/h1-7,14,16H,8-13,15H2,(H,27,32)
InChIKeyQNLMWZFENGWECO-UHFFFAOYSA-N
MW470.48 g/mol
LogP2.98
Rot. Bonds7

About 2-morpholin-4-ylethyl N-[3-[[1-(3,4-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate

2-morpholin-4-ylethyl N-[3-[[1-(3,4-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate (PubChem CID 53308326) has the molecular formula C24H24F2N4O4 and a molecular weight of 470.48 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl N-[3-[[1-(3,4-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl N-[3-[[1-(3,4-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate
PubChem CID53308326
Molecular FormulaC24H24F2N4O4
Molecular Weight470.48 g/mol
Exact Mass470.18
IUPAC Name2-morpholin-4-ylethyl N-[3-[[1-(3,4-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate
SMILESO=C(Nc1cccc(Cc2nn(-c3ccc(F)c(F)c3)ccc2=O)c1)OCCN1CCOCC1
InChIInChI=1S/C24H24F2N4O4/c25-20-5-4-19(16-21(20)26)30-7-6-23(31)22(28-30)15-17-2-1-3-18(14-17)27-24(32)34-13-10-29-8-11-33-12-9-29/h1-7,14,16H,8-13,15H2,(H,27,32)
InChIKeyQNLMWZFENGWECO-UHFFFAOYSA-N
XLogP2.98
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-morpholin-4-ylethyl N-[3-[[1-(3,4-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate with MolForge

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Related Compounds

3-morpholin-4-ylpropyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 59849760
3-morpholin-4-ylpropyl N-[3-[[3-(2,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 16746692
3-morpholin-4-ylpropyl N-[3-[[3-(3-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 16746764
3-morpholin-4-ylpropyl N-[3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 16747563
2-methoxyethyl N-[3-[[1-(3-cyano-5-fluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate
CID 53307417
Ethyl(3-{[4-oxo-1-(3,4,5-trifluorophenyl)-1,4-dihydropyridazin-3-yl]methyl}phenyl)carbamate
CID 53308107
2-methylpropyl N-[3-[[4-oxo-1-(3,4,5-trifluorophenyl)pyridazin-3-yl]methyl]phenyl]carbamate
CID 53308182
propyl N-[3-[[4-oxo-1-(3,4,5-trifluorophenyl)pyridazin-3-yl]methyl]phenyl]carbamate
CID 53308183
ethyl N-[3-[[1-(3,5-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate
CID 53308250
propyl N-[3-[[1-(4-bromo-3,5-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate
CID 53308254
2-methylpropyl N-[3-[[1-(3,5-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate
CID 53308322
3-morpholin-4-ylpropyl N-[3-[2-[5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]phenyl]carbamate
CID 59819728

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl N-[3-[[1-(3,4-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate?
The IUPAC name of 2-morpholin-4-ylethyl N-[3-[[1-(3,4-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate (CID 53308326) is 2-morpholin-4-ylethyl N-[3-[[1-(3,4-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate.
What is the SMILES notation for 2-morpholin-4-ylethyl N-[3-[[1-(3,4-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate?
The canonical SMILES for 2-morpholin-4-ylethyl N-[3-[[1-(3,4-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate is O=C(Nc1cccc(Cc2nn(-c3ccc(F)c(F)c3)ccc2=O)c1)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl N-[3-[[1-(3,4-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate?
The InChIKey is QNLMWZFENGWECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O4/c25-20-5-4-19(16-21(20)26)30-7-6-23(31)22(28-30)15-17-2-1-3-18(14-17)27-24(32)34-13-10-29-8-11-33-12-9-29/h1-7,14,16H,8-13,15H2,(H,27,32).
What are the key properties of 2-morpholin-4-ylethyl N-[3-[[1-(3,4-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate?
2-morpholin-4-ylethyl N-[3-[[1-(3,4-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate has a molecular weight of 470.48 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl N-[3-[[1-(3,4-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate is sourced from PubChem (CID 53308326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).