9-(3-methoxypropyl)-4-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one

C22H23NO4 — CID 25282326

IUPAC9-(3-methoxypropyl)-4-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
SMILESCOCCCN1COc2ccc3c(C)c(-c4ccccc4)c(=O)oc3c2C1
InChIInChI=1S/C22H23NO4/c1-15-17-9-10-19-18(13-23(14-26-19)11-6-12-25-2)21(17)27-22(24)20(15)16-7-4-3-5-8-16/h3-5,7-10H,6,11-14H2,1-2H3
InChIKeyYCPLZTGLLLWTLN-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.96
Rot. Bonds5

About 9-(3-methoxypropyl)-4-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one

9-(3-methoxypropyl)-4-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one (PubChem CID 25282326) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 9-(3-methoxypropyl)-4-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one.

Molecular Properties

Compound Name9-(3-methoxypropyl)-4-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
PubChem CID25282326
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name9-(3-methoxypropyl)-4-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
SMILESCOCCCN1COc2ccc3c(C)c(-c4ccccc4)c(=O)oc3c2C1
InChIInChI=1S/C22H23NO4/c1-15-17-9-10-19-18(13-23(14-26-19)11-6-12-25-2)21(17)27-22(24)20(15)16-7-4-3-5-8-16/h3-5,7-10H,6,11-14H2,1-2H3
InChIKeyYCPLZTGLLLWTLN-UHFFFAOYSA-N
XLogP3.96
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-(3-methoxypropyl)-4-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 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 9-(3-methoxypropyl)-4-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
The IUPAC name of 9-(3-methoxypropyl)-4-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one (CID 25282326) is 9-(3-methoxypropyl)-4-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one.
What is the SMILES notation for 9-(3-methoxypropyl)-4-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
The canonical SMILES for 9-(3-methoxypropyl)-4-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one is COCCCN1COc2ccc3c(C)c(-c4ccccc4)c(=O)oc3c2C1.
What is the InChIKey of 9-(3-methoxypropyl)-4-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
The InChIKey is YCPLZTGLLLWTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-15-17-9-10-19-18(13-23(14-26-19)11-6-12-25-2)21(17)27-22(24)20(15)16-7-4-3-5-8-16/h3-5,7-10H,6,11-14H2,1-2H3.
What are the key properties of 9-(3-methoxypropyl)-4-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
9-(3-methoxypropyl)-4-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one has a molecular weight of 365.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methoxypropyl)-4-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one is sourced from PubChem (CID 25282326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).