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

C18H22N4O3 — CID 4963609

IUPAC3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide
SMILESNC(=O)c1nn(CC(=O)NC2CCCCCC2)c(=O)c2ccccc12
InChIInChI=1S/C18H22N4O3/c19-17(24)16-13-9-5-6-10-14(13)18(25)22(21-16)11-15(23)20-12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11H2,(H2,19,24)(H,20,23)
InChIKeyFKDVDWHLWPFRKV-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.33
Rot. Bonds4

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

3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide (PubChem CID 4963609) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide
PubChem CID4963609
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide
SMILESNC(=O)c1nn(CC(=O)NC2CCCCCC2)c(=O)c2ccccc12
InChIInChI=1S/C18H22N4O3/c19-17(24)16-13-9-5-6-10-14(13)18(25)22(21-16)11-15(23)20-12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11H2,(H2,19,24)(H,20,23)
InChIKeyFKDVDWHLWPFRKV-UHFFFAOYSA-N
XLogP1.33
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179223
3-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 24632547
3-[2-(2-carbamoylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 9399186
3-benzyl-N-cyclohexyl-4-oxophthalazine-1-carboxamide
CID 4811377
3-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2365892
[2-(cyclooctylamino)-2-oxoethyl] 4-oxo-3-pentylphthalazine-1-carboxylate
CID 55325185
3-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 9489790
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
N-cycloheptyl-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)acetamide
CID 22513943
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 2648597
3-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 9204419
3-[2-(carbamoylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2629330

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide (CID 4963609) is 3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide is NC(=O)c1nn(CC(=O)NC2CCCCCC2)c(=O)c2ccccc12.
What is the InChIKey of 3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide?
The InChIKey is FKDVDWHLWPFRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c19-17(24)16-13-9-5-6-10-14(13)18(25)22(21-16)11-15(23)20-12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11H2,(H2,19,24)(H,20,23).
What are the key properties of 3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide?
3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 4963609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).