1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea

C22H26N4O4 — CID 121048747

IUPAC1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOCCn1nc(CNC(=O)NCCc2ccc(OC)cc2)c2ccccc2c1=O
InChIInChI=1S/C22H26N4O4/c1-29-14-13-26-21(27)19-6-4-3-5-18(19)20(25-26)15-24-22(28)23-12-11-16-7-9-17(30-2)10-8-16/h3-10H,11-15H2,1-2H3,(H2,23,24,28)
InChIKeyNRXIGDMZJHECOQ-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.09
Rot. Bonds9

About 1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea

1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 121048747) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID121048747
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOCCn1nc(CNC(=O)NCCc2ccc(OC)cc2)c2ccccc2c1=O
InChIInChI=1S/C22H26N4O4/c1-29-14-13-26-21(27)19-6-4-3-5-18(19)20(25-26)15-24-22(28)23-12-11-16-7-9-17(30-2)10-8-16/h3-10H,11-15H2,1-2H3,(H2,23,24,28)
InChIKeyNRXIGDMZJHECOQ-UHFFFAOYSA-N
XLogP2.09
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea with MolForge

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Related Compounds

1-benzyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
CID 121048741
1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-(2-phenoxyethyl)urea
CID 121048443
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-phenoxyacetamide
CID 121048595
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-methylpropanamide
CID 121048510
1-benzhydryl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
CID 121048755
2-(4-methoxyphenyl)-N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]acetamide
CID 90490498
1-[(4-methoxyphenyl)methyl]-3-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]urea
CID 121049733
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]furan-2-carboxamide
CID 121048633
1-cyclohexyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
CID 121048720
methyl 2-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methylcarbamoyl]benzoate
CID 121048641
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]cyclopropanecarboxamide
CID 121048517
ethyl 2-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methylamino]-2-oxoacetate
CID 121048529

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea (CID 121048747) is 1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea is COCCn1nc(CNC(=O)NCCc2ccc(OC)cc2)c2ccccc2c1=O.
What is the InChIKey of 1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is NRXIGDMZJHECOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-29-14-13-26-21(27)19-6-4-3-5-18(19)20(25-26)15-24-22(28)23-12-11-16-7-9-17(30-2)10-8-16/h3-10H,11-15H2,1-2H3,(H2,23,24,28).
What are the key properties of 1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 410.47 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 121048747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).