3-benzyl-4-oxo-N'-(2-oxochromene-3-carbonyl)phthalazine-1-carbohydrazide

C26H18N4O5 — CID 4995460

IUPAC3-benzyl-4-oxo-N'-(2-oxochromene-3-carbonyl)phthalazine-1-carbohydrazide
SMILESO=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cc2ccccc2oc1=O
InChIInChI=1S/C26H18N4O5/c31-23(20-14-17-10-4-7-13-21(17)35-26(20)34)27-28-24(32)22-18-11-5-6-12-19(18)25(33)30(29-22)15-16-8-2-1-3-9-16/h1-14H,15H2,(H,27,31)(H,28,32)
InChIKeyGETFWOKEDNSYEH-UHFFFAOYSA-N
MW466.45 g/mol
LogP2.63
Rot. Bonds4

About 3-benzyl-4-oxo-N'-(2-oxochromene-3-carbonyl)phthalazine-1-carbohydrazide

3-benzyl-4-oxo-N'-(2-oxochromene-3-carbonyl)phthalazine-1-carbohydrazide (PubChem CID 4995460) has the molecular formula C26H18N4O5 and a molecular weight of 466.45 g/mol. Its IUPAC name is 3-benzyl-4-oxo-N'-(2-oxochromene-3-carbonyl)phthalazine-1-carbohydrazide.

Molecular Properties

Compound Name3-benzyl-4-oxo-N'-(2-oxochromene-3-carbonyl)phthalazine-1-carbohydrazide
PubChem CID4995460
Molecular FormulaC26H18N4O5
Molecular Weight466.45 g/mol
Exact Mass466.13
IUPAC Name3-benzyl-4-oxo-N'-(2-oxochromene-3-carbonyl)phthalazine-1-carbohydrazide
SMILESO=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cc2ccccc2oc1=O
InChIInChI=1S/C26H18N4O5/c31-23(20-14-17-10-4-7-13-21(17)35-26(20)34)27-28-24(32)22-18-11-5-6-12-19(18)25(33)30(29-22)15-16-8-2-1-3-9-16/h1-14H,15H2,(H,27,31)(H,28,32)
InChIKeyGETFWOKEDNSYEH-UHFFFAOYSA-N
XLogP2.63
TPSA123.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-benzofuran-2-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 8838626
N'-(1-benzofuran-2-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 8839224
N'-(3-benzyl-4-oxophthalazine-1-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide
CID 34057526
3-benzyl-N'-(2-naphthalen-1-yloxyacetyl)-4-oxophthalazine-1-carbohydrazide
CID 24636832
3-benzyl-N'-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 25494783
N'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 2674870
3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide
CID 4797057
3-benzyl-N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 34057571
N-[1-[2-(3-benzyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxopropan-2-yl]acetamide
CID 24636769
N-[(1-benzylpyrazol-4-yl)methyl]-2-oxochromene-3-carboxamide
CID 51115685
3-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)-4-oxophthalazine-1-carboxamide
CID 26683215
3-benzyl-N-(cyclopentylmethyl)-4-oxophthalazine-1-carboxamide
CID 39211839

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-oxo-N'-(2-oxochromene-3-carbonyl)phthalazine-1-carbohydrazide?
The IUPAC name of 3-benzyl-4-oxo-N'-(2-oxochromene-3-carbonyl)phthalazine-1-carbohydrazide (CID 4995460) is 3-benzyl-4-oxo-N'-(2-oxochromene-3-carbonyl)phthalazine-1-carbohydrazide.
What is the SMILES notation for 3-benzyl-4-oxo-N'-(2-oxochromene-3-carbonyl)phthalazine-1-carbohydrazide?
The canonical SMILES for 3-benzyl-4-oxo-N'-(2-oxochromene-3-carbonyl)phthalazine-1-carbohydrazide is O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cc2ccccc2oc1=O.
What is the InChIKey of 3-benzyl-4-oxo-N'-(2-oxochromene-3-carbonyl)phthalazine-1-carbohydrazide?
The InChIKey is GETFWOKEDNSYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O5/c31-23(20-14-17-10-4-7-13-21(17)35-26(20)34)27-28-24(32)22-18-11-5-6-12-19(18)25(33)30(29-22)15-16-8-2-1-3-9-16/h1-14H,15H2,(H,27,31)(H,28,32).
What are the key properties of 3-benzyl-4-oxo-N'-(2-oxochromene-3-carbonyl)phthalazine-1-carbohydrazide?
3-benzyl-4-oxo-N'-(2-oxochromene-3-carbonyl)phthalazine-1-carbohydrazide has a molecular weight of 466.45 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-oxo-N'-(2-oxochromene-3-carbonyl)phthalazine-1-carbohydrazide is sourced from PubChem (CID 4995460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).