N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide

C24H20N4O3 — CID 135785092

IUPACN-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(N/N=C(\CCc1ccccc1)c1ccccc1O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C24H20N4O3/c29-21-13-7-6-12-19(21)20(15-14-16-8-2-1-3-9-16)25-28-24(31)22-17-10-4-5-11-18(17)23(30)27-26-22/h1-13,29H,14-15H2,(H,27,30)(H,28,31)/b25-20+
InChIKeyLYPOYHYKTSHCQJ-LKUDQCMESA-N
MW412.45 g/mol
LogP3.40
Rot. Bonds6

About N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide

N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 135785092) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID135785092
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(N/N=C(\CCc1ccccc1)c1ccccc1O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C24H20N4O3/c29-21-13-7-6-12-19(21)20(15-14-16-8-2-1-3-9-16)25-28-24(31)22-17-10-4-5-11-18(17)23(30)27-26-22/h1-13,29H,14-15H2,(H,27,30)(H,28,31)/b25-20+
InChIKeyLYPOYHYKTSHCQJ-LKUDQCMESA-N
XLogP3.40
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]benzamide
CID 135730522
N-[(Z)-hexan-2-ylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9177023
N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-2-methylfuran-3-carboxamide
CID 135576103
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9176920
4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3H-phthalazine-1-carboxamide
CID 60517905
4-oxo-N'-(2-phenylbenzoyl)-3H-phthalazine-1-carbohydrazide
CID 27565264
N-(cyclooctylideneamino)-4-oxo-3H-phthalazine-1-carboxamide
CID 9177041
N'-(5-bromo-2-hydroxybenzoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 27163402
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 8929267
N-[(Z)-1-(2,4-dichloro-5-fluorophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9176910
N-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 24683439
N-[(Z)-(4-anilinophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 7530707

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide (CID 135785092) is N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide is O=C(N/N=C(\CCc1ccccc1)c1ccccc1O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is LYPOYHYKTSHCQJ-LKUDQCMESA-N. The full InChI is InChI=1S/C24H20N4O3/c29-21-13-7-6-12-19(21)20(15-14-16-8-2-1-3-9-16)25-28-24(31)22-17-10-4-5-11-18(17)23(30)27-26-22/h1-13,29H,14-15H2,(H,27,30)(H,28,31)/b25-20+.
What are the key properties of N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide?
N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 135785092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).