7-methoxy-2-oxo-N'-(2-phenylacetyl)chromene-3-carbohydrazide

C19H16N2O5 — CID 5262581

IUPAC7-methoxy-2-oxo-N'-(2-phenylacetyl)chromene-3-carbohydrazide
SMILESCOc1ccc2cc(C(=O)NNC(=O)Cc3ccccc3)c(=O)oc2c1
InChIInChI=1S/C19H16N2O5/c1-25-14-8-7-13-10-15(19(24)26-16(13)11-14)18(23)21-20-17(22)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyMUEWVPJRHXPETK-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.81
Rot. Bonds4

About 7-methoxy-2-oxo-N'-(2-phenylacetyl)chromene-3-carbohydrazide

7-methoxy-2-oxo-N'-(2-phenylacetyl)chromene-3-carbohydrazide (PubChem CID 5262581) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 7-methoxy-2-oxo-N'-(2-phenylacetyl)chromene-3-carbohydrazide.

Molecular Properties

Compound Name7-methoxy-2-oxo-N'-(2-phenylacetyl)chromene-3-carbohydrazide
PubChem CID5262581
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name7-methoxy-2-oxo-N'-(2-phenylacetyl)chromene-3-carbohydrazide
SMILESCOc1ccc2cc(C(=O)NNC(=O)Cc3ccccc3)c(=O)oc2c1
InChIInChI=1S/C19H16N2O5/c1-25-14-8-7-13-10-15(19(24)26-16(13)11-14)18(23)21-20-17(22)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyMUEWVPJRHXPETK-UHFFFAOYSA-N
XLogP1.81
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

7-methoxy-N'-[2-(4-nitrophenyl)acetyl]-2-oxochromene-3-carbohydrazide
CID 5262575
7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
CID 5262259
2-[(7-methoxy-2-oxochromene-3-carbonyl)amino]propanedioic acid
CID 20823648
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] 3-methoxybenzoate
CID 19185467
methyl 7-[(3-methoxyphenyl)methoxy]-2-oxochromene-3-carboxylate
CID 121297931
N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide
CID 5263152
N-(2-benzoyl-4-chlorophenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 100795259
ethyl 3-(7-methoxy-2-oxochromen-3-yl)-3-oxopropanoate
CID 91733252
N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide
CID 100795138
N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 5262383
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-oxochromene-3-carbohydrazide
CID 1050674
[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 3-phenylpropanoate
CID 19185737

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-oxo-N'-(2-phenylacetyl)chromene-3-carbohydrazide?
The IUPAC name of 7-methoxy-2-oxo-N'-(2-phenylacetyl)chromene-3-carbohydrazide (CID 5262581) is 7-methoxy-2-oxo-N'-(2-phenylacetyl)chromene-3-carbohydrazide.
What is the SMILES notation for 7-methoxy-2-oxo-N'-(2-phenylacetyl)chromene-3-carbohydrazide?
The canonical SMILES for 7-methoxy-2-oxo-N'-(2-phenylacetyl)chromene-3-carbohydrazide is COc1ccc2cc(C(=O)NNC(=O)Cc3ccccc3)c(=O)oc2c1.
What is the InChIKey of 7-methoxy-2-oxo-N'-(2-phenylacetyl)chromene-3-carbohydrazide?
The InChIKey is MUEWVPJRHXPETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-25-14-8-7-13-10-15(19(24)26-16(13)11-14)18(23)21-20-17(22)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 7-methoxy-2-oxo-N'-(2-phenylacetyl)chromene-3-carbohydrazide?
7-methoxy-2-oxo-N'-(2-phenylacetyl)chromene-3-carbohydrazide has a molecular weight of 352.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-oxo-N'-(2-phenylacetyl)chromene-3-carbohydrazide is sourced from PubChem (CID 5262581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).