N'-(5-chloro-2-methoxybenzoyl)-3-methyl-4-oxophthalazine-1-carbohydrazide

C18H15ClN4O4 — CID 2091488

IUPACN'-(5-chloro-2-methoxybenzoyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C18H15ClN4O4/c1-23-18(26)12-6-4-3-5-11(12)15(22-23)17(25)21-20-16(24)13-9-10(19)7-8-14(13)27-2/h3-9H,1-2H3,(H,20,24)(H,21,25)
InChIKeyBVEQWMNNHQSNLV-UHFFFAOYSA-N
MW386.80 g/mol
LogP1.67
Rot. Bonds3

About N'-(5-chloro-2-methoxybenzoyl)-3-methyl-4-oxophthalazine-1-carbohydrazide

N'-(5-chloro-2-methoxybenzoyl)-3-methyl-4-oxophthalazine-1-carbohydrazide (PubChem CID 2091488) has the molecular formula C18H15ClN4O4 and a molecular weight of 386.80 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxybenzoyl)-3-methyl-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxybenzoyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
PubChem CID2091488
Molecular FormulaC18H15ClN4O4
Molecular Weight386.80 g/mol
Exact Mass386.08
IUPAC NameN'-(5-chloro-2-methoxybenzoyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C18H15ClN4O4/c1-23-18(26)12-6-4-3-5-11(12)15(22-23)17(25)21-20-16(24)13-9-10(19)7-8-14(13)27-2/h3-9H,1-2H3,(H,20,24)(H,21,25)
InChIKeyBVEQWMNNHQSNLV-UHFFFAOYSA-N
XLogP1.67
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.80
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxybenzoyl)-3-methyl-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of N'-(5-chloro-2-methoxybenzoyl)-3-methyl-4-oxophthalazine-1-carbohydrazide (CID 2091488) is N'-(5-chloro-2-methoxybenzoyl)-3-methyl-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(5-chloro-2-methoxybenzoyl)-3-methyl-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for N'-(5-chloro-2-methoxybenzoyl)-3-methyl-4-oxophthalazine-1-carbohydrazide is COc1ccc(Cl)cc1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12.
What is the InChIKey of N'-(5-chloro-2-methoxybenzoyl)-3-methyl-4-oxophthalazine-1-carbohydrazide?
The InChIKey is BVEQWMNNHQSNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O4/c1-23-18(26)12-6-4-3-5-11(12)15(22-23)17(25)21-20-16(24)13-9-10(19)7-8-14(13)27-2/h3-9H,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N'-(5-chloro-2-methoxybenzoyl)-3-methyl-4-oxophthalazine-1-carbohydrazide?
N'-(5-chloro-2-methoxybenzoyl)-3-methyl-4-oxophthalazine-1-carbohydrazide has a molecular weight of 386.80 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxybenzoyl)-3-methyl-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 2091488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).