N,N-dimethyl-4-(4-oxo-3H-phthalazin-1-yl)benzamide

C17H15N3O2 — CID 738018

IUPACN,N-dimethyl-4-(4-oxo-3H-phthalazin-1-yl)benzamide
SMILESCN(C)C(=O)c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C17H15N3O2/c1-20(2)17(22)12-9-7-11(8-10-12)15-13-5-3-4-6-14(13)16(21)19-18-15/h3-10H,1-2H3,(H,19,21)
InChIKeyPVXUYPLWMVPQAL-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.29
Rot. Bonds2

About N,N-dimethyl-4-(4-oxo-3H-phthalazin-1-yl)benzamide

N,N-dimethyl-4-(4-oxo-3H-phthalazin-1-yl)benzamide (PubChem CID 738018) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-oxo-3H-phthalazin-1-yl)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-oxo-3H-phthalazin-1-yl)benzamide
PubChem CID738018
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN,N-dimethyl-4-(4-oxo-3H-phthalazin-1-yl)benzamide
SMILESCN(C)C(=O)c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C17H15N3O2/c1-20(2)17(22)12-9-7-11(8-10-12)15-13-5-3-4-6-14(13)16(21)19-18-15/h3-10H,1-2H3,(H,19,21)
InChIKeyPVXUYPLWMVPQAL-UHFFFAOYSA-N
XLogP2.29
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenyl-1-(2H)-phthalazinone
CID 219150
4-Benzyl-1(2H)-phthalazinone
CID 616651
1-Hydroxy-4-methylphthalazine
CID 21103
4-({4-Fluoro-3-[(4-methylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133631
4-({4-Fluoro-3-[(4-propanoylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133976
2-Methylphthalazin-1-one
CID 313378
Talastine
CID 65624
4-({3-[(4-Methylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133630
4-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)phthalazin-1(2H)-one
CID 10237099
4-({3-[(4-Acetyl-1,4-diazepan-1-yl)carbonyl]-4-fluorophenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25132610
4-[[3-(Piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 25132612
4-({3-[(4-Ethylpiperazin-1-yl)carbonyl]-4-fluorophenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133632

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-oxo-3H-phthalazin-1-yl)benzamide?
The IUPAC name of N,N-dimethyl-4-(4-oxo-3H-phthalazin-1-yl)benzamide (CID 738018) is N,N-dimethyl-4-(4-oxo-3H-phthalazin-1-yl)benzamide.
What is the SMILES notation for N,N-dimethyl-4-(4-oxo-3H-phthalazin-1-yl)benzamide?
The canonical SMILES for N,N-dimethyl-4-(4-oxo-3H-phthalazin-1-yl)benzamide is CN(C)C(=O)c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1.
What is the InChIKey of N,N-dimethyl-4-(4-oxo-3H-phthalazin-1-yl)benzamide?
The InChIKey is PVXUYPLWMVPQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-20(2)17(22)12-9-7-11(8-10-12)15-13-5-3-4-6-14(13)16(21)19-18-15/h3-10H,1-2H3,(H,19,21).
What are the key properties of N,N-dimethyl-4-(4-oxo-3H-phthalazin-1-yl)benzamide?
N,N-dimethyl-4-(4-oxo-3H-phthalazin-1-yl)benzamide has a molecular weight of 293.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-oxo-3H-phthalazin-1-yl)benzamide is sourced from PubChem (CID 738018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).