N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide;hydrochloride

C18H27ClN4O2 — CID 6603568

IUPACN-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide;hydrochloride
SMILESCCN(CC)CCNC(=O)Cc1nn(CC)c(=O)c2ccccc12.Cl
InChIInChI=1S/C18H26N4O2.ClH/c1-4-21(5-2)12-11-19-17(23)13-16-14-9-7-8-10-15(14)18(24)22(6-3)20-16;/h7-10H,4-6,11-13H2,1-3H3,(H,19,23);1H
InChIKeyLTGIJNCWUHXKBL-UHFFFAOYSA-N
MW366.89 g/mol
LogP1.84
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide;hydrochloride

N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide;hydrochloride (PubChem CID 6603568) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide;hydrochloride
PubChem CID6603568
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC NameN-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide;hydrochloride
SMILESCCN(CC)CCNC(=O)Cc1nn(CC)c(=O)c2ccccc12.Cl
InChIInChI=1S/C18H26N4O2.ClH/c1-4-21(5-2)12-11-19-17(23)13-16-14-9-7-8-10-15(14)18(24)22(6-3)20-16;/h7-10H,4-6,11-13H2,1-3H3,(H,19,23);1H
InChIKeyLTGIJNCWUHXKBL-UHFFFAOYSA-N
XLogP1.84
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide;hydrochloride (CID 6603568) is N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide;hydrochloride is CCN(CC)CCNC(=O)Cc1nn(CC)c(=O)c2ccccc12.Cl.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide;hydrochloride?
The InChIKey is LTGIJNCWUHXKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.ClH/c1-4-21(5-2)12-11-19-17(23)13-16-14-9-7-8-10-15(14)18(24)22(6-3)20-16;/h7-10H,4-6,11-13H2,1-3H3,(H,19,23);1H.
What are the key properties of N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide;hydrochloride?
N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 6603568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).