2-oxo-N'-(3,4,5-triethoxybenzoyl)chromene-3-carbohydrazide

C23H24N2O7 — CID 34250417

IUPAC2-oxo-N'-(3,4,5-triethoxybenzoyl)chromene-3-carbohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2cc3ccccc3oc2=O)cc(OCC)c1OCC
InChIInChI=1S/C23H24N2O7/c1-4-29-18-12-15(13-19(30-5-2)20(18)31-6-3)21(26)24-25-22(27)16-11-14-9-7-8-10-17(14)32-23(16)28/h7-13H,4-6H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyLZFIAXHSKFPKIU-UHFFFAOYSA-N
MW440.45 g/mol
LogP3.06
Rot. Bonds8

About 2-oxo-N'-(3,4,5-triethoxybenzoyl)chromene-3-carbohydrazide

2-oxo-N'-(3,4,5-triethoxybenzoyl)chromene-3-carbohydrazide (PubChem CID 34250417) has the molecular formula C23H24N2O7 and a molecular weight of 440.45 g/mol. Its IUPAC name is 2-oxo-N'-(3,4,5-triethoxybenzoyl)chromene-3-carbohydrazide.

Molecular Properties

Compound Name2-oxo-N'-(3,4,5-triethoxybenzoyl)chromene-3-carbohydrazide
PubChem CID34250417
Molecular FormulaC23H24N2O7
Molecular Weight440.45 g/mol
Exact Mass440.16
IUPAC Name2-oxo-N'-(3,4,5-triethoxybenzoyl)chromene-3-carbohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2cc3ccccc3oc2=O)cc(OCC)c1OCC
InChIInChI=1S/C23H24N2O7/c1-4-29-18-12-15(13-19(30-5-2)20(18)31-6-3)21(26)24-25-22(27)16-11-14-9-7-8-10-17(14)32-23(16)28/h7-13H,4-6H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyLZFIAXHSKFPKIU-UHFFFAOYSA-N
XLogP3.06
TPSA116.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 53.06
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'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide
CID 7964784
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-oxochromene-3-carbohydrazide
CID 1050674
methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
N'-(7-ethoxy-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide
CID 5263160
3-ethoxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide
CID 24585783
N'-(3-chlorobenzoyl)-8-ethoxy-2-oxochromene-3-carbohydrazide
CID 16645463
[(2-oxochromene-3-carbonyl)amino]thiourea
CID 14494824
[2-oxo-3-(1-phenylethylcarbamoyl)chromen-7-yl] 3,4,5-triethoxybenzoate
CID 19186177
N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide
CID 5263152
2-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]chromene-3-carbohydrazide
CID 4795712
4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide
CID 55602361
3-(1-benzofuran-2-carbonyl)-5-ethoxy-7-methylchromen-2-one
CID 87692885

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N'-(3,4,5-triethoxybenzoyl)chromene-3-carbohydrazide?
The IUPAC name of 2-oxo-N'-(3,4,5-triethoxybenzoyl)chromene-3-carbohydrazide (CID 34250417) is 2-oxo-N'-(3,4,5-triethoxybenzoyl)chromene-3-carbohydrazide.
What is the SMILES notation for 2-oxo-N'-(3,4,5-triethoxybenzoyl)chromene-3-carbohydrazide?
The canonical SMILES for 2-oxo-N'-(3,4,5-triethoxybenzoyl)chromene-3-carbohydrazide is CCOc1cc(C(=O)NNC(=O)c2cc3ccccc3oc2=O)cc(OCC)c1OCC.
What is the InChIKey of 2-oxo-N'-(3,4,5-triethoxybenzoyl)chromene-3-carbohydrazide?
The InChIKey is LZFIAXHSKFPKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O7/c1-4-29-18-12-15(13-19(30-5-2)20(18)31-6-3)21(26)24-25-22(27)16-11-14-9-7-8-10-17(14)32-23(16)28/h7-13H,4-6H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 2-oxo-N'-(3,4,5-triethoxybenzoyl)chromene-3-carbohydrazide?
2-oxo-N'-(3,4,5-triethoxybenzoyl)chromene-3-carbohydrazide has a molecular weight of 440.45 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N'-(3,4,5-triethoxybenzoyl)chromene-3-carbohydrazide is sourced from PubChem (CID 34250417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).