3-[2-(2-carbamoylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide

C18H15N5O4 — CID 9399186

IUPAC3-[2-(2-carbamoylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)Cn1nc(C(N)=O)c2ccccc2c1=O
InChIInChI=1S/C18H15N5O4/c19-16(25)12-7-3-4-8-13(12)21-14(24)9-23-18(27)11-6-2-1-5-10(11)15(22-23)17(20)26/h1-8H,9H2,(H2,19,25)(H2,20,26)(H,21,24)
InChIKeyFEBFASISIIROSP-UHFFFAOYSA-N
MW365.35 g/mol
LogP0.23
Rot. Bonds5

About 3-[2-(2-carbamoylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide

3-[2-(2-carbamoylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide (PubChem CID 9399186) has the molecular formula C18H15N5O4 and a molecular weight of 365.35 g/mol. Its IUPAC name is 3-[2-(2-carbamoylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-[2-(2-carbamoylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide
PubChem CID9399186
Molecular FormulaC18H15N5O4
Molecular Weight365.35 g/mol
Exact Mass365.11
IUPAC Name3-[2-(2-carbamoylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)Cn1nc(C(N)=O)c2ccccc2c1=O
InChIInChI=1S/C18H15N5O4/c19-16(25)12-7-3-4-8-13(12)21-14(24)9-23-18(27)11-6-2-1-5-10(11)15(22-23)17(20)26/h1-8H,9H2,(H2,19,25)(H2,20,26)(H,21,24)
InChIKeyFEBFASISIIROSP-UHFFFAOYSA-N
XLogP0.23
TPSA150.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16611031
N-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 36526843
3-[2-(2-chloroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2351837
3-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 24529074
3-[2-[[5-(5-chlorothiophen-2-yl)-2-pyridinyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 154841526
3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 4963609
3-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide
CID 18156568
3-[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16539223
4-oxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]phthalazine-1-carboxylate
CID 2379329
3-[2-(2-methylsulfonylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16611098
3-[2-(carbamoylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2629330
3-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 18192278

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-carbamoylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-[2-(2-carbamoylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide (CID 9399186) is 3-[2-(2-carbamoylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-[2-(2-carbamoylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-[2-(2-carbamoylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide is NC(=O)c1ccccc1NC(=O)Cn1nc(C(N)=O)c2ccccc2c1=O.
What is the InChIKey of 3-[2-(2-carbamoylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide?
The InChIKey is FEBFASISIIROSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O4/c19-16(25)12-7-3-4-8-13(12)21-14(24)9-23-18(27)11-6-2-1-5-10(11)15(22-23)17(20)26/h1-8H,9H2,(H2,19,25)(H2,20,26)(H,21,24).
What are the key properties of 3-[2-(2-carbamoylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide?
3-[2-(2-carbamoylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide has a molecular weight of 365.35 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-carbamoylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 9399186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).