N-methyl-2-[4-[(4-methylphthalazin-1-yl)amino]phenoxy]acetamide;hydrochloride

C18H19ClN4O2 — CID 16682703

IUPACN-methyl-2-[4-[(4-methylphthalazin-1-yl)amino]phenoxy]acetamide;hydrochloride
SMILESCNC(=O)COc1ccc(Nc2nnc(C)c3ccccc23)cc1.Cl
InChIInChI=1S/C18H18N4O2.ClH/c1-12-15-5-3-4-6-16(15)18(22-21-12)20-13-7-9-14(10-8-13)24-11-17(23)19-2;/h3-10H,11H2,1-2H3,(H,19,23)(H,20,22);1H
InChIKeyGVKOELPARUDOKU-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.23
Rot. Bonds5

About N-methyl-2-[4-[(4-methylphthalazin-1-yl)amino]phenoxy]acetamide;hydrochloride

N-methyl-2-[4-[(4-methylphthalazin-1-yl)amino]phenoxy]acetamide;hydrochloride (PubChem CID 16682703) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-methyl-2-[4-[(4-methylphthalazin-1-yl)amino]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-[4-[(4-methylphthalazin-1-yl)amino]phenoxy]acetamide;hydrochloride
PubChem CID16682703
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC NameN-methyl-2-[4-[(4-methylphthalazin-1-yl)amino]phenoxy]acetamide;hydrochloride
SMILESCNC(=O)COc1ccc(Nc2nnc(C)c3ccccc23)cc1.Cl
InChIInChI=1S/C18H18N4O2.ClH/c1-12-15-5-3-4-6-16(15)18(22-21-12)20-13-7-9-14(10-8-13)24-11-17(23)19-2;/h3-10H,11H2,1-2H3,(H,19,23)(H,20,22);1H
InChIKeyGVKOELPARUDOKU-UHFFFAOYSA-N
XLogP3.23
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(4-methylphthalazin-1-yl)amino]phenoxy]acetamide;hydrochloride?
The IUPAC name of N-methyl-2-[4-[(4-methylphthalazin-1-yl)amino]phenoxy]acetamide;hydrochloride (CID 16682703) is N-methyl-2-[4-[(4-methylphthalazin-1-yl)amino]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-methyl-2-[4-[(4-methylphthalazin-1-yl)amino]phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-methyl-2-[4-[(4-methylphthalazin-1-yl)amino]phenoxy]acetamide;hydrochloride is CNC(=O)COc1ccc(Nc2nnc(C)c3ccccc23)cc1.Cl.
What is the InChIKey of N-methyl-2-[4-[(4-methylphthalazin-1-yl)amino]phenoxy]acetamide;hydrochloride?
The InChIKey is GVKOELPARUDOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2.ClH/c1-12-15-5-3-4-6-16(15)18(22-21-12)20-13-7-9-14(10-8-13)24-11-17(23)19-2;/h3-10H,11H2,1-2H3,(H,19,23)(H,20,22);1H.
What are the key properties of N-methyl-2-[4-[(4-methylphthalazin-1-yl)amino]phenoxy]acetamide;hydrochloride?
N-methyl-2-[4-[(4-methylphthalazin-1-yl)amino]phenoxy]acetamide;hydrochloride has a molecular weight of 358.83 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(4-methylphthalazin-1-yl)amino]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 16682703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).