1-(2,4-dimethoxyphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea

C18H22N4O4 — CID 122280840

IUPAC1-(2,4-dimethoxyphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NCCn2nc3c(cc2=O)CCC3)c(OC)c1
InChIInChI=1S/C18H22N4O4/c1-25-13-6-7-15(16(11-13)26-2)20-18(24)19-8-9-22-17(23)10-12-4-3-5-14(12)21-22/h6-7,10-11H,3-5,8-9H2,1-2H3,(H2,19,20,24)
InChIKeyFKOJCPMGHWTKQM-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.57
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea

1-(2,4-dimethoxyphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea (PubChem CID 122280840) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea
PubChem CID122280840
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NCCn2nc3c(cc2=O)CCC3)c(OC)c1
InChIInChI=1S/C18H22N4O4/c1-25-13-6-7-15(16(11-13)26-2)20-18(24)19-8-9-22-17(23)10-12-4-3-5-14(12)21-22/h6-7,10-11H,3-5,8-9H2,1-2H3,(H2,19,20,24)
InChIKeyFKOJCPMGHWTKQM-UHFFFAOYSA-N
XLogP1.57
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2,4-dimethoxyphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea with MolForge

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Related Compounds

1-(4-methoxyphenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea
CID 122277564
1-(2-methylphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea
CID 122280845
1-(2-fluorophenyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea
CID 122277567
2-(3-methoxyphenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
CID 122277213
1-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzotriazole-5-carboxamide
CID 53121118
4-butoxy-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122280450
(E)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 122280480
2-(2-methoxy-4-methylphenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
CID 122277222
3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277173
1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
CID 108895113
(E)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 122277211
1-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-(2,4-dimethoxyphenyl)urea
CID 121116590

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea (CID 122280840) is 1-(2,4-dimethoxyphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea is COc1ccc(NC(=O)NCCn2nc3c(cc2=O)CCC3)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea?
The InChIKey is FKOJCPMGHWTKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-25-13-6-7-15(16(11-13)26-2)20-18(24)19-8-9-22-17(23)10-12-4-3-5-14(12)21-22/h6-7,10-11H,3-5,8-9H2,1-2H3,(H2,19,20,24).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea?
1-(2,4-dimethoxyphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea has a molecular weight of 358.40 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea is sourced from PubChem (CID 122280840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).