3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide

C18H17N3O3 — CID 2540338

IUPAC3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(OC)cc2)c2ccccc2c1=O
InChIInChI=1S/C18H17N3O3/c1-3-21-18(23)15-7-5-4-6-14(15)16(20-21)17(22)19-12-8-10-13(24-2)11-9-12/h4-11H,3H2,1-2H3,(H,19,22)
InChIKeyLGIDTMPVJGLAMP-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.68
Rot. Bonds4

About 3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide

3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide (PubChem CID 2540338) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
PubChem CID2540338
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(OC)cc2)c2ccccc2c1=O
InChIInChI=1S/C18H17N3O3/c1-3-21-18(23)15-7-5-4-6-14(15)16(20-21)17(22)19-12-8-10-13(24-2)11-9-12/h4-11H,3H2,1-2H3,(H,19,22)
InChIKeyLGIDTMPVJGLAMP-UHFFFAOYSA-N
XLogP2.68
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-4-oxophthalazine-1-carboxamide
CID 26710366
3-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-oxophthalazine-1-carboxamide
CID 17406671
N'-(3,5-dimethoxybenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 2674005
N-(3,5-dimethoxyphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 4805820
N-(4-ethoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 4815668
ethyl (E)-3-[4-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]phenyl]prop-2-enoate
CID 27902250
3-benzyl-N-[4-(2-methoxyethoxy)phenyl]-4-oxophthalazine-1-carboxamide
CID 55658035
N-(3-methoxyphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 4963988
3-hexyl-N-(3-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 2482884
4-oxo-3-pentyl-N-[4-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide
CID 7957140
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 6218632
methyl 2-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-4,5-dimethoxybenzoate
CID 7742229

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide (CID 2540338) is 3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide is CCn1nc(C(=O)Nc2ccc(OC)cc2)c2ccccc2c1=O.
What is the InChIKey of 3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is LGIDTMPVJGLAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-3-21-18(23)15-7-5-4-6-14(15)16(20-21)17(22)19-12-8-10-13(24-2)11-9-12/h4-11H,3H2,1-2H3,(H,19,22).
What are the key properties of 3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 2540338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).