N-(2-amino-5-methoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide

C20H22N4O3 — CID 119421583

IUPACN-(2-amino-5-methoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(N)c(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)c1
InChIInChI=1S/C20H22N4O3/c1-12(2)11-24-20(26)15-7-5-4-6-14(15)18(23-24)19(25)22-17-10-13(27-3)8-9-16(17)21/h4-10,12H,11,21H2,1-3H3,(H,22,25)
InChIKeyHRPMDRPZPSOVLL-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.90
Rot. Bonds5

About N-(2-amino-5-methoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide

N-(2-amino-5-methoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide (PubChem CID 119421583) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
PubChem CID119421583
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-(2-amino-5-methoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(N)c(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)c1
InChIInChI=1S/C20H22N4O3/c1-12(2)11-24-20(26)15-7-5-4-6-14(15)18(23-24)19(25)22-17-10-13(27-3)8-9-16(17)21/h4-10,12H,11,21H2,1-3H3,(H,22,25)
InChIKeyHRPMDRPZPSOVLL-UHFFFAOYSA-N
XLogP2.90
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 55763709
N-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51159012
N-(2-acetylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51148476
N-(4-ethoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 4815668
N-(4-chloro-2-methylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 4815704
N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 3944118
[2-(3-methoxyanilino)-2-oxoethyl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate
CID 7500568
N-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 134061493
3-(2-methylpropyl)-4-oxo-N-pyridin-2-ylphthalazine-1-carboxamide
CID 51194000
3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide
CID 7925968
3-(2-methylpropyl)-4-oxo-N-phenylmethoxyphthalazine-1-carboxamide
CID 9227461
3-(2-methylpropyl)-4-oxo-N-(2,4,6-trimethyl-3-pyridinyl)phthalazine-1-carboxamide
CID 78859773

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide (CID 119421583) is N-(2-amino-5-methoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide is COc1ccc(N)c(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is HRPMDRPZPSOVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-12(2)11-24-20(26)15-7-5-4-6-14(15)18(23-24)19(25)22-17-10-13(27-3)8-9-16(17)21/h4-10,12H,11,21H2,1-3H3,(H,22,25).
What are the key properties of N-(2-amino-5-methoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
N-(2-amino-5-methoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 119421583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).