N-benzyl-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide

C17H15N3O2 — CID 1503600

IUPACN-benzyl-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CC=C3
InChIInChI=1S/C17H15N3O2/c1-20-17(22)14-10-6-5-9-13(14)15(19-20)16(21)18-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21)
InChIKeyBBIDWSGQKRCFSJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.10
Rot. Bonds3

About N-benzyl-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide

N-benzyl-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide (PubChem CID 1503600) has the molecular formula C17H15N3O2 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-benzyl-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide
PubChem CID1503600
Molecular FormulaC17H15N3O2
Molecular Weight293.32 g/mol
Exact Mass293.12
IUPAC NameN-benzyl-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CC=C3
InChIInChI=1S/C17H15N3O2/c1-20-17(22)14-10-6-5-9-13(14)15(19-20)16(21)18-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21)
InChIKeyBBIDWSGQKRCFSJ-UHFFFAOYSA-N
XLogP2.10
TPSA61.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity469

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methylphthalazin-1-one
CID 313378
4-(aminomethyl)phthalazin-1(2H)-one
CID 816623
(4-Benzyl-1-oxophthalazin-2(1H)-yl)acetic acid
CID 646907
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
4-{4-[4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridin-1-yl]butyl}-1,2-dihydrophthalazin-1-one
CID 25218517
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
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 N-benzyl-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide?
The IUPAC name of N-benzyl-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide (CID 1503600) is N-benzyl-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-benzyl-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide?
The canonical SMILES for N-benzyl-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide is CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CC=C3.
What is the InChIKey of N-benzyl-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide?
The InChIKey is BBIDWSGQKRCFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-20-17(22)14-10-6-5-9-13(14)15(19-20)16(21)18-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21).
What are the key properties of N-benzyl-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide?
N-benzyl-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide is sourced from PubChem (CID 1503600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).