N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide

C21H20N4O4 — CID 39938891

IUPACN-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C21H20N4O4/c26-18(25-9-11-29-12-10-25)13-14-5-7-15(8-6-14)22-21(28)19-16-3-1-2-4-17(16)20(27)24-23-19/h1-8H,9-13H2,(H,22,28)(H,24,27)
InChIKeyPDCMNDSZRWGIBH-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.58
Rot. Bonds4

About N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 39938891) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID39938891
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC NameN-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C21H20N4O4/c26-18(25-9-11-29-12-10-25)13-14-5-7-15(8-6-14)22-21(28)19-16-3-1-2-4-17(16)20(27)24-23-19/h1-8H,9-13H2,(H,22,28)(H,24,27)
InChIKeyPDCMNDSZRWGIBH-UHFFFAOYSA-N
XLogP1.58
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 39938891) is N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide is O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is PDCMNDSZRWGIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c26-18(25-9-11-29-12-10-25)13-14-5-7-15(8-6-14)22-21(28)19-16-3-1-2-4-17(16)20(27)24-23-19/h1-8H,9-13H2,(H,22,28)(H,24,27).
What are the key properties of N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 39938891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).