4-(2-hydroxybenzoyl)-2-oxochromene-3-carbohydrazide

C17H12N2O5 — CID 167485757

IUPAC4-(2-hydroxybenzoyl)-2-oxochromene-3-carbohydrazide
SMILESNNC(=O)c1c(C(=O)c2ccccc2O)c2ccccc2oc1=O
InChIInChI=1S/C17H12N2O5/c18-19-16(22)14-13(15(21)9-5-1-3-7-11(9)20)10-6-2-4-8-12(10)24-17(14)23/h1-8,20H,18H2,(H,19,22)
InChIKeyRQMJZRQGYLDQFZ-UHFFFAOYSA-N
MW324.29 g/mol
LogP1.33
Rot. Bonds3

About 4-(2-hydroxybenzoyl)-2-oxochromene-3-carbohydrazide

4-(2-hydroxybenzoyl)-2-oxochromene-3-carbohydrazide (PubChem CID 167485757) has the molecular formula C17H12N2O5 and a molecular weight of 324.29 g/mol. Its IUPAC name is 4-(2-hydroxybenzoyl)-2-oxochromene-3-carbohydrazide.

Molecular Properties

Compound Name4-(2-hydroxybenzoyl)-2-oxochromene-3-carbohydrazide
PubChem CID167485757
Molecular FormulaC17H12N2O5
Molecular Weight324.29 g/mol
Exact Mass324.07
IUPAC Name4-(2-hydroxybenzoyl)-2-oxochromene-3-carbohydrazide
SMILESNNC(=O)c1c(C(=O)c2ccccc2O)c2ccccc2oc1=O
InChIInChI=1S/C17H12N2O5/c18-19-16(22)14-13(15(21)9-5-1-3-7-11(9)20)10-6-2-4-8-12(10)24-17(14)23/h1-8,20H,18H2,(H,19,22)
InChIKeyRQMJZRQGYLDQFZ-UHFFFAOYSA-N
XLogP1.33
TPSA122.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 4-(2-hydroxybenzoyl)-2-oxochromene-3-carbohydrazide?
The IUPAC name of 4-(2-hydroxybenzoyl)-2-oxochromene-3-carbohydrazide (CID 167485757) is 4-(2-hydroxybenzoyl)-2-oxochromene-3-carbohydrazide.
What is the SMILES notation for 4-(2-hydroxybenzoyl)-2-oxochromene-3-carbohydrazide?
The canonical SMILES for 4-(2-hydroxybenzoyl)-2-oxochromene-3-carbohydrazide is NNC(=O)c1c(C(=O)c2ccccc2O)c2ccccc2oc1=O.
What is the InChIKey of 4-(2-hydroxybenzoyl)-2-oxochromene-3-carbohydrazide?
The InChIKey is RQMJZRQGYLDQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O5/c18-19-16(22)14-13(15(21)9-5-1-3-7-11(9)20)10-6-2-4-8-12(10)24-17(14)23/h1-8,20H,18H2,(H,19,22).
What are the key properties of 4-(2-hydroxybenzoyl)-2-oxochromene-3-carbohydrazide?
4-(2-hydroxybenzoyl)-2-oxochromene-3-carbohydrazide has a molecular weight of 324.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxybenzoyl)-2-oxochromene-3-carbohydrazide is sourced from PubChem (CID 167485757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).