3-methyl-4-oxo-N-(1-phenylethyl)phthalazine-1-carboxamide

C18H17N3O2 — CID 2955469

IUPAC3-methyl-4-oxo-N-(1-phenylethyl)phthalazine-1-carboxamide
SMILESCC(NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-12(13-8-4-3-5-9-13)19-17(22)16-14-10-6-7-11-15(14)18(23)21(2)20-16/h3-12H,1-2H3,(H,19,22)
InChIKeyRYZASTLRWDIWHR-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.42
Rot. Bonds3

About 3-methyl-4-oxo-N-(1-phenylethyl)phthalazine-1-carboxamide

3-methyl-4-oxo-N-(1-phenylethyl)phthalazine-1-carboxamide (PubChem CID 2955469) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-(1-phenylethyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-(1-phenylethyl)phthalazine-1-carboxamide
PubChem CID2955469
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-methyl-4-oxo-N-(1-phenylethyl)phthalazine-1-carboxamide
SMILESCC(NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-12(13-8-4-3-5-9-13)19-17(22)16-14-10-6-7-11-15(14)18(23)21(2)20-16/h3-12H,1-2H3,(H,19,22)
InChIKeyRYZASTLRWDIWHR-UHFFFAOYSA-N
XLogP2.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-((4-Fluoro-3-(piperazine-1-carbonyl)phenyl)methyl)-1,2-dihydrophthalazin-1-one
CID 11726399
(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 2841175
2-(6-Oxo-3-phenylpyridazin-1(6H)-yl)-N-(1-phenylethyl)ethanimidic acid
CID 5053474
4-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)phthalazin-1(2H)-one
CID 10237099
4-[[3-(Piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 25132612
2-Methyl-4-(phenylmethyl)phthalazin-1-one
CID 619552
4-methyl-2-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)phthalazin-1(2H)-one
CID 709326
Ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate
CID 895376
N,N-dimethyl-4-(4-oxo-3H-phthalazin-1-yl)benzamide
CID 738018
2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(4-methylphenyl)acetamide
CID 600118
N-Methyl-2-(4-methyl-1-oxo-1H-phthalazin-2-yl)-acetamide
CID 655510
4-Methyl-1-oxo-2(1H)-phthalazineacetamide
CID 658785

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-(1-phenylethyl)phthalazine-1-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-(1-phenylethyl)phthalazine-1-carboxamide (CID 2955469) is 3-methyl-4-oxo-N-(1-phenylethyl)phthalazine-1-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-(1-phenylethyl)phthalazine-1-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-(1-phenylethyl)phthalazine-1-carboxamide is CC(NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1.
What is the InChIKey of 3-methyl-4-oxo-N-(1-phenylethyl)phthalazine-1-carboxamide?
The InChIKey is RYZASTLRWDIWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12(13-8-4-3-5-9-13)19-17(22)16-14-10-6-7-11-15(14)18(23)21(2)20-16/h3-12H,1-2H3,(H,19,22).
What are the key properties of 3-methyl-4-oxo-N-(1-phenylethyl)phthalazine-1-carboxamide?
3-methyl-4-oxo-N-(1-phenylethyl)phthalazine-1-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-(1-phenylethyl)phthalazine-1-carboxamide is sourced from PubChem (CID 2955469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).