3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]phthalazine-1-carboxamide

C23H24N4O5 — CID 3242338

IUPAC3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]phthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCC(=O)NCC3CCCO3)c3ccccc3c2=O)cc1
InChIInChI=1S/C23H24N4O5/c1-31-16-10-8-15(9-11-16)27-23(30)19-7-3-2-6-18(19)21(26-27)22(29)25-14-20(28)24-13-17-5-4-12-32-17/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,24,28)(H,25,29)
InChIKeyNPOASVOGBQCCED-UHFFFAOYSA-N
MW436.47 g/mol
LogP1.42
Rot. Bonds7

About 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]phthalazine-1-carboxamide

3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]phthalazine-1-carboxamide (PubChem CID 3242338) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]phthalazine-1-carboxamide
PubChem CID3242338
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]phthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCC(=O)NCC3CCCO3)c3ccccc3c2=O)cc1
InChIInChI=1S/C23H24N4O5/c1-31-16-10-8-15(9-11-16)27-23(30)19-7-3-2-6-18(19)21(26-27)22(29)25-14-20(28)24-13-17-5-4-12-32-17/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,24,28)(H,25,29)
InChIKeyNPOASVOGBQCCED-UHFFFAOYSA-N
XLogP1.42
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]phthalazine-1-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]phthalazine-1-carboxamide (CID 3242338) is 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]phthalazine-1-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]phthalazine-1-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]phthalazine-1-carboxamide is COc1ccc(-n2nc(C(=O)NCC(=O)NCC3CCCO3)c3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]phthalazine-1-carboxamide?
The InChIKey is NPOASVOGBQCCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-31-16-10-8-15(9-11-16)27-23(30)19-7-3-2-6-18(19)21(26-27)22(29)25-14-20(28)24-13-17-5-4-12-32-17/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]phthalazine-1-carboxamide?
3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]phthalazine-1-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]phthalazine-1-carboxamide is sourced from PubChem (CID 3242338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).