N,3-bis(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide

C25H23N3O4 — CID 20970771

IUPACN,3-bis(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)c2nn(-c3ccc(OCC)cc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C25H23N3O4/c1-3-31-19-13-9-17(10-14-19)26-24(29)23-21-7-5-6-8-22(21)25(30)28(27-23)18-11-15-20(16-12-18)32-4-2/h5-16H,3-4H2,1-2H3,(H,26,29)
InChIKeyBNPMDBFXZZUXMW-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.44
Rot. Bonds7

About N,3-bis(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide

N,3-bis(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide (PubChem CID 20970771) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N,3-bis(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN,3-bis(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide
PubChem CID20970771
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC NameN,3-bis(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)c2nn(-c3ccc(OCC)cc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C25H23N3O4/c1-3-31-19-13-9-17(10-14-19)26-24(29)23-21-7-5-6-8-22(21)25(30)28(27-23)18-11-15-20(16-12-18)32-4-2/h5-16H,3-4H2,1-2H3,(H,26,29)
InChIKeyBNPMDBFXZZUXMW-UHFFFAOYSA-N
XLogP4.44
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-ethoxyphenyl)-4-oxo-N-[4-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
CID 3443199
3-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide
CID 3282398
N-(4-ethoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 4815668
N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8760225
3-(4-ethoxyphenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-oxophthalazine-1-carboxamide
CID 20970826
butyl-[2-[[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]ethyl]-ethylazanium
CID 3497730
N-(4-tert-butylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 7914088
3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide
CID 2805931
N-(4-iodophenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 4811491
3-(4-ethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxophthalazine-1-carboxamide
CID 4230036
3-(3-methoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)phthalazine-1-carboxamide
CID 3513203
3-(3,5-dimethoxyphenyl)-N-(4-fluorophenyl)-4-oxophthalazine-1-carboxamide
CID 15992156

Frequently Asked Questions

What is the IUPAC name of N,3-bis(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of N,3-bis(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide (CID 20970771) is N,3-bis(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N,3-bis(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N,3-bis(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide is CCOc1ccc(NC(=O)c2nn(-c3ccc(OCC)cc3)c(=O)c3ccccc23)cc1.
What is the InChIKey of N,3-bis(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is BNPMDBFXZZUXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-3-31-19-13-9-17(10-14-19)26-24(29)23-21-7-5-6-8-22(21)25(30)28(27-23)18-11-15-20(16-12-18)32-4-2/h5-16H,3-4H2,1-2H3,(H,26,29).
What are the key properties of N,3-bis(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide?
N,3-bis(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 20970771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).