3-methyl-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide

C16H20N4O3 — CID 971523

IUPAC3-methyl-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)NCCN2CCOCC2)c2ccccc2c1=O
InChIInChI=1S/C16H20N4O3/c1-19-16(22)13-5-3-2-4-12(13)14(18-19)15(21)17-6-7-20-8-10-23-11-9-20/h2-5H,6-11H2,1H3,(H,17,21)
InChIKeyJVTQBOKRHXHJBV-UHFFFAOYSA-N
MW316.36 g/mol
LogP-0.00
Rot. Bonds4

About 3-methyl-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide

3-methyl-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide (PubChem CID 971523) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide
PubChem CID971523
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-methyl-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)NCCN2CCOCC2)c2ccccc2c1=O
InChIInChI=1S/C16H20N4O3/c1-19-16(22)13-5-3-2-4-12(13)14(18-19)15(21)17-6-7-20-8-10-23-11-9-20/h2-5H,6-11H2,1H3,(H,17,21)
InChIKeyJVTQBOKRHXHJBV-UHFFFAOYSA-N
XLogP-0.00
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-(Piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 25132612
4-methyl-2-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)phthalazin-1(2H)-one
CID 709326
N-Methyl-2-(4-methyl-1-oxo-1H-phthalazin-2-yl)-acetamide
CID 655510
4-[(3-{[4-(2-Hydroxyethyl)piperazin-1-yl]carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one
CID 25133283
4-({3-[(4-Methylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133630
4-(5-Morpholin-4-yl-pentyl)-2H-phthalazin-1-one
CID 44403402
4-(4-Morpholin-4-yl-butyl)-2H-phthalazin-1-one
CID 44403404
N-methyl-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 714735
2-(3-butyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(2-(diethylamino)ethyl)acetamide
CID 1827716
3-(1-oxo-4-phenylphthalazin-2(1H)-yl)-N-propylpropanamide
CID 1884678
N-(2-hydroxyethyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1957894
3-butyl-N-cycloheptyl-4-oxophthalazine-1-carboxamide
CID 2085247

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide (CID 971523) is 3-methyl-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-methyl-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide is Cn1nc(C(=O)NCCN2CCOCC2)c2ccccc2c1=O.
What is the InChIKey of 3-methyl-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is JVTQBOKRHXHJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-19-16(22)13-5-3-2-4-12(13)14(18-19)15(21)17-6-7-20-8-10-23-11-9-20/h2-5H,6-11H2,1H3,(H,17,21).
What are the key properties of 3-methyl-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide?
3-methyl-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 316.36 g/mol, XLogP of -0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 971523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).