1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(4-methylphenyl)urea

C22H24N4O2 — CID 90490320

IUPAC1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCc2nn(C3CCCC3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C22H24N4O2/c1-15-10-12-16(13-11-15)24-22(28)23-14-20-18-8-4-5-9-19(18)21(27)26(25-20)17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7,14H2,1H3,(H2,23,24,28)
InChIKeyRCRUYDCVGSUTIV-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.14
Rot. Bonds4

About 1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(4-methylphenyl)urea

1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(4-methylphenyl)urea (PubChem CID 90490320) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(4-methylphenyl)urea
PubChem CID90490320
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCc2nn(C3CCCC3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C22H24N4O2/c1-15-10-12-16(13-11-15)24-22(28)23-14-20-18-8-4-5-9-19(18)21(27)26(25-20)17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7,14H2,1H3,(H2,23,24,28)
InChIKeyRCRUYDCVGSUTIV-UHFFFAOYSA-N
XLogP4.14
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(4-methylphenyl)urea with MolForge

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Related Compounds

1-{8-Oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl}-3-propylurea
CID 11336543
Enpp-1-IN-19
CID 157040072
3-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
CID 970816
N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 709340
2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(4-methylphenyl)acetamide
CID 600118
4-(anilinomethyl)-1(2H)-phthalazinone
CID 1482294
1-(3,3-Dimethylbutyl)-3-[2-fluoro-4-methyl-5-(2-methyl-1-oxophthalazin-6-yl)phenyl]urea
CID 162661734
N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 756039
3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide
CID 2714733
N-(6-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazinyl}-6-oxohexyl)benzamide
CID 5839600
N-(2,4-dimethylphenyl)-2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetamide
CID 648380
2-(4-Methyl-1-oxo-1H-phthalazin-2-yl)-N-o-tolyl-acetamide
CID 745849

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(4-methylphenyl)urea (CID 90490320) is 1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NCc2nn(C3CCCC3)c(=O)c3ccccc23)cc1.
What is the InChIKey of 1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(4-methylphenyl)urea?
The InChIKey is RCRUYDCVGSUTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-10-12-16(13-11-15)24-22(28)23-14-20-18-8-4-5-9-19(18)21(27)26(25-20)17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7,14H2,1H3,(H2,23,24,28).
What are the key properties of 1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(4-methylphenyl)urea?
1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(4-methylphenyl)urea has a molecular weight of 376.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 90490320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).