2-morpholin-4-yl-5-nitro-N-(2-oxochromen-6-yl)benzamide

C20H17N3O6 — CID 2979100

IUPAC2-morpholin-4-yl-5-nitro-N-(2-oxochromen-6-yl)benzamide
SMILESO=C(Nc1ccc2oc(=O)ccc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C20H17N3O6/c24-19-6-1-13-11-14(2-5-18(13)29-19)21-20(25)16-12-15(23(26)27)3-4-17(16)22-7-9-28-10-8-22/h1-6,11-12H,7-10H2,(H,21,25)
InChIKeyRXNHTTGVECSDLG-UHFFFAOYSA-N
MW395.37 g/mol
LogP2.79
Rot. Bonds4

About 2-morpholin-4-yl-5-nitro-N-(2-oxochromen-6-yl)benzamide

2-morpholin-4-yl-5-nitro-N-(2-oxochromen-6-yl)benzamide (PubChem CID 2979100) has the molecular formula C20H17N3O6 and a molecular weight of 395.37 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-nitro-N-(2-oxochromen-6-yl)benzamide.

Molecular Properties

Compound Name2-morpholin-4-yl-5-nitro-N-(2-oxochromen-6-yl)benzamide
PubChem CID2979100
Molecular FormulaC20H17N3O6
Molecular Weight395.37 g/mol
Exact Mass395.11
IUPAC Name2-morpholin-4-yl-5-nitro-N-(2-oxochromen-6-yl)benzamide
SMILESO=C(Nc1ccc2oc(=O)ccc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C20H17N3O6/c24-19-6-1-13-11-14(2-5-18(13)29-19)21-20(25)16-12-15(23(26)27)3-4-17(16)22-7-9-28-10-8-22/h1-6,11-12H,7-10H2,(H,21,25)
InChIKeyRXNHTTGVECSDLG-UHFFFAOYSA-N
XLogP2.79
TPSA114.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-morpholin-4-yl-5-nitro-N-(2-oxochromen-6-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-nitro-N-(2-oxochromen-6-yl)benzamide?
The IUPAC name of 2-morpholin-4-yl-5-nitro-N-(2-oxochromen-6-yl)benzamide (CID 2979100) is 2-morpholin-4-yl-5-nitro-N-(2-oxochromen-6-yl)benzamide.
What is the SMILES notation for 2-morpholin-4-yl-5-nitro-N-(2-oxochromen-6-yl)benzamide?
The canonical SMILES for 2-morpholin-4-yl-5-nitro-N-(2-oxochromen-6-yl)benzamide is O=C(Nc1ccc2oc(=O)ccc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-5-nitro-N-(2-oxochromen-6-yl)benzamide?
The InChIKey is RXNHTTGVECSDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O6/c24-19-6-1-13-11-14(2-5-18(13)29-19)21-20(25)16-12-15(23(26)27)3-4-17(16)22-7-9-28-10-8-22/h1-6,11-12H,7-10H2,(H,21,25).
What are the key properties of 2-morpholin-4-yl-5-nitro-N-(2-oxochromen-6-yl)benzamide?
2-morpholin-4-yl-5-nitro-N-(2-oxochromen-6-yl)benzamide has a molecular weight of 395.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-nitro-N-(2-oxochromen-6-yl)benzamide is sourced from PubChem (CID 2979100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).