N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide

C23H20N4O3 — CID 9463146

IUPACN-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCCOc1ccc2ccccc2c1/C=N\NC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C23H20N4O3/c1-3-30-20-13-12-15-8-4-5-9-16(15)19(20)14-24-25-22(28)21-17-10-6-7-11-18(17)23(29)27(2)26-21/h4-14H,3H2,1-2H3,(H,25,28)/b24-14-
InChIKeyVKPOVMNEMVIRGH-OYKKKHCWSA-N
MW400.44 g/mol
LogP3.25
Rot. Bonds5

About N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide

N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 9463146) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID9463146
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC NameN-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCCOc1ccc2ccccc2c1/C=N\NC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C23H20N4O3/c1-3-30-20-13-12-15-8-4-5-9-16(15)19(20)14-24-25-22(28)21-17-10-6-7-11-18(17)23(29)27(2)26-21/h4-14H,3H2,1-2H3,(H,25,28)/b24-14-
InChIKeyVKPOVMNEMVIRGH-OYKKKHCWSA-N
XLogP3.25
TPSA85.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 135582432
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 135582430
3-benzyl-N-[(2-methoxynaphthalen-1-yl)methylideneamino]-4-oxophthalazine-1-carboxamide
CID 4848660
N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 42995647
N-[(4-methoxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 4848627
N-[(3,4-dimethoxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 4848632
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 6218648
N-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2591019
3-methyl-4-oxo-N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]phthalazine-1-carboxamide
CID 42993119
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-5-ethylpyridine-2-carboxamide
CID 6872223
2-amino-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 7240387
4-bromo-N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 8983110

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide (CID 9463146) is N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide is CCOc1ccc2ccccc2c1/C=N\NC(=O)c1nn(C)c(=O)c2ccccc12.
What is the InChIKey of N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is VKPOVMNEMVIRGH-OYKKKHCWSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-3-30-20-13-12-15-8-4-5-9-16(15)19(20)14-24-25-22(28)21-17-10-6-7-11-18(17)23(29)27(2)26-21/h4-14H,3H2,1-2H3,(H,25,28)/b24-14-.
What are the key properties of N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide?
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 9463146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).