N-(3,5-dimethoxyphenyl)-4-oxo-3H-phthalazine-1-carboxamide

C17H15N3O4 — CID 2079617

IUPACN-(3,5-dimethoxyphenyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCOc1cc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc(OC)c1
InChIInChI=1S/C17H15N3O4/c1-23-11-7-10(8-12(9-11)24-2)18-17(22)15-13-5-3-4-6-14(13)16(21)20-19-15/h3-9H,1-2H3,(H,18,22)(H,20,21)
InChIKeyXGCCNDCLCGFUTP-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.19
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-4-oxo-3H-phthalazine-1-carboxamide

N-(3,5-dimethoxyphenyl)-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 2079617) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID2079617
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC NameN-(3,5-dimethoxyphenyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCOc1cc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc(OC)c1
InChIInChI=1S/C17H15N3O4/c1-23-11-7-10(8-12(9-11)24-2)18-17(22)15-13-5-3-4-6-14(13)16(21)20-19-15/h3-9H,1-2H3,(H,18,22)(H,20,21)
InChIKeyXGCCNDCLCGFUTP-UHFFFAOYSA-N
XLogP2.19
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methoxyanilino)methyl]-1(2H)-phthalazinone
CID 1482305
6-Carbamimidoyl-naphthalene-2-carboxylic acid (3,5-dimethoxy-phenyl)-amide
CID 11450922
N-1,3-benzodioxol-5-yl-4-oxo-3,4-dihydrophthalazine-1-carboxamide
CID 756038
N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 3238487
N-[3-(diethylamino)propyl]-3-(3-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
CID 3240139
N-[3-(diethylamino)propyl]-3-(2,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
CID 3242266
Ethyl 4-[3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carbonyl]piperazine-1-carboxylate
CID 3243642
ethyl N-{[3-(3-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]carbonyl}glycinate
CID 3243668
N-[3-(diethylamino)propyl]-3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
CID 3244231
3-(3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-4-oxophthalazine-1-carboxamide
CID 3245020
3-(2,4-dimethoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydrophthalazine-1-carboxamide
CID 3344532
N-[3-(dipropylamino)propyl]-3-(3-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
CID 4090835

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-oxo-3H-phthalazine-1-carboxamide (CID 2079617) is N-(3,5-dimethoxyphenyl)-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-oxo-3H-phthalazine-1-carboxamide is COc1cc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is XGCCNDCLCGFUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-23-11-7-10(8-12(9-11)24-2)18-17(22)15-13-5-3-4-6-14(13)16(21)20-19-15/h3-9H,1-2H3,(H,18,22)(H,20,21).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-oxo-3H-phthalazine-1-carboxamide?
N-(3,5-dimethoxyphenyl)-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 2079617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).