4-[7-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxybenzamide

C22H23N3O4 — CID 154642524

IUPAC4-[7-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxybenzamide
SMILESCOc1cc(N2CCOc3cc(C(=O)N4CC=CCC4)ccc32)ccc1C(N)=O
InChIInChI=1S/C22H23N3O4/c1-28-19-14-16(6-7-17(19)21(23)26)25-11-12-29-20-13-15(5-8-18(20)25)22(27)24-9-3-2-4-10-24/h2-3,5-8,13-14H,4,9-12H2,1H3,(H2,23,26)
InChIKeyPZVJQATWYQDKGF-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.73
Rot. Bonds4

About 4-[7-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxybenzamide

4-[7-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxybenzamide (PubChem CID 154642524) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 4-[7-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-[7-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxybenzamide
PubChem CID154642524
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name4-[7-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxybenzamide
SMILESCOc1cc(N2CCOc3cc(C(=O)N4CC=CCC4)ccc32)ccc1C(N)=O
InChIInChI=1S/C22H23N3O4/c1-28-19-14-16(6-7-17(19)21(23)26)25-11-12-29-20-13-15(5-8-18(20)25)22(27)24-9-3-2-4-10-24/h2-3,5-8,13-14H,4,9-12H2,1H3,(H2,23,26)
InChIKeyPZVJQATWYQDKGF-UHFFFAOYSA-N
XLogP2.73
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[7-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxybenzamide 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 4-[7-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxybenzamide?
The IUPAC name of 4-[7-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxybenzamide (CID 154642524) is 4-[7-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxybenzamide.
What is the SMILES notation for 4-[7-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxybenzamide?
The canonical SMILES for 4-[7-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxybenzamide is COc1cc(N2CCOc3cc(C(=O)N4CC=CCC4)ccc32)ccc1C(N)=O.
What is the InChIKey of 4-[7-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxybenzamide?
The InChIKey is PZVJQATWYQDKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-28-19-14-16(6-7-17(19)21(23)26)25-11-12-29-20-13-15(5-8-18(20)25)22(27)24-9-3-2-4-10-24/h2-3,5-8,13-14H,4,9-12H2,1H3,(H2,23,26).
What are the key properties of 4-[7-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxybenzamide?
4-[7-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxybenzamide has a molecular weight of 393.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxybenzamide is sourced from PubChem (CID 154642524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).