3-methoxy-N-(2-oxochromen-6-yl)naphthalene-2-carboxamide

C21H15NO4 — CID 965782

IUPAC3-methoxy-N-(2-oxochromen-6-yl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C21H15NO4/c1-25-19-12-14-5-3-2-4-13(14)11-17(19)21(24)22-16-7-8-18-15(10-16)6-9-20(23)26-18/h2-12H,1H3,(H,22,24)
InChIKeyCGRPPOKPXJMDMS-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.21
Rot. Bonds3

About 3-methoxy-N-(2-oxochromen-6-yl)naphthalene-2-carboxamide

3-methoxy-N-(2-oxochromen-6-yl)naphthalene-2-carboxamide (PubChem CID 965782) has the molecular formula C21H15NO4 and a molecular weight of 345.35 g/mol. Its IUPAC name is 3-methoxy-N-(2-oxochromen-6-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(2-oxochromen-6-yl)naphthalene-2-carboxamide
PubChem CID965782
Molecular FormulaC21H15NO4
Molecular Weight345.35 g/mol
Exact Mass345.10
IUPAC Name3-methoxy-N-(2-oxochromen-6-yl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C21H15NO4/c1-25-19-12-14-5-3-2-4-13(14)11-17(19)21(24)22-16-7-8-18-15(10-16)6-9-20(23)26-18/h2-12H,1H3,(H,22,24)
InChIKeyCGRPPOKPXJMDMS-UHFFFAOYSA-N
XLogP4.21
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.21
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 3-methoxy-N-(2-oxochromen-6-yl)naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-(2-oxochromen-6-yl)naphthalene-2-carboxamide (CID 965782) is 3-methoxy-N-(2-oxochromen-6-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-(2-oxochromen-6-yl)naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-(2-oxochromen-6-yl)naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(=O)ccc2c1.
What is the InChIKey of 3-methoxy-N-(2-oxochromen-6-yl)naphthalene-2-carboxamide?
The InChIKey is CGRPPOKPXJMDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO4/c1-25-19-12-14-5-3-2-4-13(14)11-17(19)21(24)22-16-7-8-18-15(10-16)6-9-20(23)26-18/h2-12H,1H3,(H,22,24).
What are the key properties of 3-methoxy-N-(2-oxochromen-6-yl)naphthalene-2-carboxamide?
3-methoxy-N-(2-oxochromen-6-yl)naphthalene-2-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-oxochromen-6-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 965782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).