6-methoxy-2-oxo-N-phenylchromene-3-carboxamide

C17H13NO4 — CID 767956

IUPAC6-methoxy-2-oxo-N-phenylchromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C17H13NO4/c1-21-13-7-8-15-11(9-13)10-14(17(20)22-15)16(19)18-12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)
InChIKeyLZSBQLYXKMMEIL-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.05
Rot. Bonds3

About 6-methoxy-2-oxo-N-phenylchromene-3-carboxamide

6-methoxy-2-oxo-N-phenylchromene-3-carboxamide (PubChem CID 767956) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 6-methoxy-2-oxo-N-phenylchromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-2-oxo-N-phenylchromene-3-carboxamide
PubChem CID767956
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name6-methoxy-2-oxo-N-phenylchromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C17H13NO4/c1-21-13-7-8-15-11(9-13)10-14(17(20)22-15)16(19)18-12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)
InChIKeyLZSBQLYXKMMEIL-UHFFFAOYSA-N
XLogP3.05
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-oxo-N-phenylchromene-3-carboxamide?
The IUPAC name of 6-methoxy-2-oxo-N-phenylchromene-3-carboxamide (CID 767956) is 6-methoxy-2-oxo-N-phenylchromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-2-oxo-N-phenylchromene-3-carboxamide?
The canonical SMILES for 6-methoxy-2-oxo-N-phenylchromene-3-carboxamide is COc1ccc2oc(=O)c(C(=O)Nc3ccccc3)cc2c1.
What is the InChIKey of 6-methoxy-2-oxo-N-phenylchromene-3-carboxamide?
The InChIKey is LZSBQLYXKMMEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-21-13-7-8-15-11(9-13)10-14(17(20)22-15)16(19)18-12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19).
What are the key properties of 6-methoxy-2-oxo-N-phenylchromene-3-carboxamide?
6-methoxy-2-oxo-N-phenylchromene-3-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-oxo-N-phenylchromene-3-carboxamide is sourced from PubChem (CID 767956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).