N'-benzoyl-7-methoxy-5-methyl-2-oxochromene-3-carbohydrazide

C19H16N2O5 — CID 86606227

IUPACN'-benzoyl-7-methoxy-5-methyl-2-oxochromene-3-carbohydrazide
SMILESCOc1cc(C)c2cc(C(=O)NNC(=O)c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C19H16N2O5/c1-11-8-13(25-2)9-16-14(11)10-15(19(24)26-16)18(23)21-20-17(22)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyRTESZSYUBAGSAW-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.18
Rot. Bonds3

About N'-benzoyl-7-methoxy-5-methyl-2-oxochromene-3-carbohydrazide

N'-benzoyl-7-methoxy-5-methyl-2-oxochromene-3-carbohydrazide (PubChem CID 86606227) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is N'-benzoyl-7-methoxy-5-methyl-2-oxochromene-3-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-7-methoxy-5-methyl-2-oxochromene-3-carbohydrazide
PubChem CID86606227
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC NameN'-benzoyl-7-methoxy-5-methyl-2-oxochromene-3-carbohydrazide
SMILESCOc1cc(C)c2cc(C(=O)NNC(=O)c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C19H16N2O5/c1-11-8-13(25-2)9-16-14(11)10-15(19(24)26-16)18(23)21-20-17(22)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyRTESZSYUBAGSAW-UHFFFAOYSA-N
XLogP2.18
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.18
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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Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-7-methoxy-5-methyl-2-oxochromene-3-carbohydrazide?
The IUPAC name of N'-benzoyl-7-methoxy-5-methyl-2-oxochromene-3-carbohydrazide (CID 86606227) is N'-benzoyl-7-methoxy-5-methyl-2-oxochromene-3-carbohydrazide.
What is the SMILES notation for N'-benzoyl-7-methoxy-5-methyl-2-oxochromene-3-carbohydrazide?
The canonical SMILES for N'-benzoyl-7-methoxy-5-methyl-2-oxochromene-3-carbohydrazide is COc1cc(C)c2cc(C(=O)NNC(=O)c3ccccc3)c(=O)oc2c1.
What is the InChIKey of N'-benzoyl-7-methoxy-5-methyl-2-oxochromene-3-carbohydrazide?
The InChIKey is RTESZSYUBAGSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-11-8-13(25-2)9-16-14(11)10-15(19(24)26-16)18(23)21-20-17(22)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-benzoyl-7-methoxy-5-methyl-2-oxochromene-3-carbohydrazide?
N'-benzoyl-7-methoxy-5-methyl-2-oxochromene-3-carbohydrazide has a molecular weight of 352.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-7-methoxy-5-methyl-2-oxochromene-3-carbohydrazide is sourced from PubChem (CID 86606227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).