1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(2-phenoxyethyl)urea

C19H20N4O3 — CID 90489843

IUPAC1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(2-phenoxyethyl)urea
SMILESCn1nc(CNC(=O)NCCOc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C19H20N4O3/c1-23-18(24)16-10-6-5-9-15(16)17(22-23)13-21-19(25)20-11-12-26-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H2,20,21,25)
InChIKeyDEUGKGVJLHFMOO-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.81
Rot. Bonds6

About 1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(2-phenoxyethyl)urea

1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(2-phenoxyethyl)urea (PubChem CID 90489843) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(2-phenoxyethyl)urea
PubChem CID90489843
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(2-phenoxyethyl)urea
SMILESCn1nc(CNC(=O)NCCOc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C19H20N4O3/c1-23-18(24)16-10-6-5-9-15(16)17(22-23)13-21-19(25)20-11-12-26-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H2,20,21,25)
InChIKeyDEUGKGVJLHFMOO-UHFFFAOYSA-N
XLogP1.81
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-(2-phenoxyethyl)urea
CID 121048443
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 90489979
1-(4-fluorophenyl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea
CID 90490062
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-naphthalen-2-yloxyacetamide
CID 90489974
1-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea
CID 90555843
1-benzyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
CID 121048741
1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 71779482
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-phenoxyacetamide
CID 121048595
1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-[1-(3-methylpyrazin-2-yl)ethyl]urea
CID 166348983
1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-methoxyethyl)urea
CID 90490351
3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489923
4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489941

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(2-phenoxyethyl)urea?
The IUPAC name of 1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(2-phenoxyethyl)urea (CID 90489843) is 1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(2-phenoxyethyl)urea.
What is the SMILES notation for 1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(2-phenoxyethyl)urea?
The canonical SMILES for 1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(2-phenoxyethyl)urea is Cn1nc(CNC(=O)NCCOc2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(2-phenoxyethyl)urea?
The InChIKey is DEUGKGVJLHFMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-23-18(24)16-10-6-5-9-15(16)17(22-23)13-21-19(25)20-11-12-26-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H2,20,21,25).
What are the key properties of 1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(2-phenoxyethyl)urea?
1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(2-phenoxyethyl)urea has a molecular weight of 352.39 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(2-phenoxyethyl)urea is sourced from PubChem (CID 90489843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).