N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide

C25H20N4O2 — CID 9410888

IUPACN-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESO=C(N/N=C1/CCc2ccccc2C1)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C25H20N4O2/c30-24(27-26-19-15-14-17-8-4-5-9-18(17)16-19)23-21-12-6-7-13-22(21)25(31)29(28-23)20-10-2-1-3-11-20/h1-13H,14-16H2,(H,27,30)/b26-19-
InChIKeyVRKVTNIIEAQYEW-XHPQRKPJSA-N
MW408.46 g/mol
LogP3.66
Rot. Bonds3

About N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide

N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 9410888) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID9410888
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC NameN-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESO=C(N/N=C1/CCc2ccccc2C1)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C25H20N4O2/c30-24(27-26-19-15-14-17-8-4-5-9-18(17)16-19)23-21-12-6-7-13-22(21)25(31)29(28-23)20-10-2-1-3-11-20/h1-13H,14-16H2,(H,27,30)/b26-19-
InChIKeyVRKVTNIIEAQYEW-XHPQRKPJSA-N
XLogP3.66
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dihydroinden-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 9463081
N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]benzamide
CID 9410916
N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 9163904
N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 39949913
N'-(4-methylbenzoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 2483637
4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one
CID 24503340
N-(4-tert-butylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 7914088
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 135725863
N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8760225
4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide
CID 78583454
N-(4-iodophenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 4811491
3-benzyl-N-(cycloheptylideneamino)-4-oxophthalazine-1-carboxamide
CID 4002441

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide (CID 9410888) is N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide is O=C(N/N=C1/CCc2ccccc2C1)c1nn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is VRKVTNIIEAQYEW-XHPQRKPJSA-N. The full InChI is InChI=1S/C25H20N4O2/c30-24(27-26-19-15-14-17-8-4-5-9-18(17)16-19)23-21-12-6-7-13-22(21)25(31)29(28-23)20-10-2-1-3-11-20/h1-13H,14-16H2,(H,27,30)/b26-19-.
What are the key properties of N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide?
N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 9410888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).