N-[3-(morpholine-4-carbonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide

C20H18N4O4 — CID 55868165

IUPACN-[3-(morpholine-4-carbonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C20H18N4O4/c25-18-16-7-2-1-6-15(16)17(22-23-18)19(26)21-14-5-3-4-13(12-14)20(27)24-8-10-28-11-9-24/h1-7,12H,8-11H2,(H,21,26)(H,23,25)
InChIKeyIMFOMRCZDBGEER-UHFFFAOYSA-N
MW378.39 g/mol
LogP1.65
Rot. Bonds3

About N-[3-(morpholine-4-carbonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[3-(morpholine-4-carbonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 55868165) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(morpholine-4-carbonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID55868165
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC NameN-[3-(morpholine-4-carbonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C20H18N4O4/c25-18-16-7-2-1-6-15(16)17(22-23-18)19(26)21-14-5-3-4-13(12-14)20(27)24-8-10-28-11-9-24/h1-7,12H,8-11H2,(H,21,26)(H,23,25)
InChIKeyIMFOMRCZDBGEER-UHFFFAOYSA-N
XLogP1.65
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 39938891
3-(4-fluorophenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1H-pyrazole-5-carboxamide
CID 86996526
N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412
2-iodo-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205432
N-[3-(morpholine-4-carbonyl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 46964376
4-oxo-N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3H-phthalazine-1-carboxamide
CID 166193163
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
4-[3-(4-propanoylpiperazine-1-carbonyl)anilino]-2H-phthalazin-1-one
CID 71680490
4-[4-(4-oxo-3H-phthalazine-1-carbonyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 167744195
N-(3-acetylphenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082912
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 46736679

Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 55868165) is N-[3-(morpholine-4-carbonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[3-(morpholine-4-carbonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[3-(morpholine-4-carbonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide is O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[3-(morpholine-4-carbonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is IMFOMRCZDBGEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c25-18-16-7-2-1-6-15(16)17(22-23-18)19(26)21-14-5-3-4-13(12-14)20(27)24-8-10-28-11-9-24/h1-7,12H,8-11H2,(H,21,26)(H,23,25).
What are the key properties of N-[3-(morpholine-4-carbonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[3-(morpholine-4-carbonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholine-4-carbonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 55868165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).