N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide

C20H21N5O2 — CID 7912856

IUPACN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C20H21N5O2/c1-3-25(4-2)15-11-9-14(10-12-15)13-21-23-20(27)18-16-7-5-6-8-17(16)19(26)24-22-18/h5-13H,3-4H2,1-2H3,(H,23,27)(H,24,26)/b21-13-
InChIKeyHZRRYYLOKPEJHJ-BKUYFWCQSA-N
MW363.42 g/mol
LogP2.53
Rot. Bonds6

About N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide

N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 7912856) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID7912856
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C20H21N5O2/c1-3-25(4-2)15-11-9-14(10-12-15)13-21-23-20(27)18-16-7-5-6-8-17(16)19(26)24-22-18/h5-13H,3-4H2,1-2H3,(H,23,27)(H,24,26)/b21-13-
InChIKeyHZRRYYLOKPEJHJ-BKUYFWCQSA-N
XLogP2.53
TPSA90.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
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-[(Z)-(4-anilinophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 7530707
N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9176937
N-[(Z)-(3-methylphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9177076
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide
CID 6180854
N-[(Z)-(2-methylphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9177065
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 135594504
N-[(Z)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 7912847
N-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 135739412
N-[(Z)-[4-(dipropylamino)phenyl]methylideneamino]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 9259188
N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9176981
tert-butyl 3-[(E)-[(4-oxo-3H-phthalazine-1-carbonyl)hydrazinylidene]methyl]benzoate
CID 166202614
N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9177119

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide (CID 7912856) is N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide is CCN(CC)c1ccc(/C=N\NC(=O)c2n[nH]c(=O)c3ccccc23)cc1.
What is the InChIKey of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is HZRRYYLOKPEJHJ-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-3-25(4-2)15-11-9-14(10-12-15)13-21-23-20(27)18-16-7-5-6-8-17(16)19(26)24-22-18/h5-13H,3-4H2,1-2H3,(H,23,27)(H,24,26)/b21-13-.
What are the key properties of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide?
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 7912856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).