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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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).