6-chloro-9-(3-chlorophenyl)-4-ethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one

C19H15Cl2NO3 — CID 3769534

About 6-chloro-9-(3-chlorophenyl)-4-ethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one

6-chloro-9-(3-chlorophenyl)-4-ethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one (PubChem CID 3769534) has the molecular formula C19H15Cl2NO3 and a molecular weight of 376.24 g/mol. Its IUPAC name is 6-chloro-9-(3-chlorophenyl)-4-ethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one.

Molecular Properties

• Compound Name: 6-chloro-9-(3-chlorophenyl)-4-ethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
• PubChem CID: 3769534
• Molecular Formula: C19H15Cl2NO3
• Molecular Weight: 376.24 g/mol
• Exact Mass: 375.04
• IUPAC Name: 6-chloro-9-(3-chlorophenyl)-4-ethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
• SMILES: CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(c1cccc(Cl)c1)C3
• InChI: InChI=1S/C19H15Cl2NO3/c1-2-11-6-17(23)25-18-14(11)8-16(21)19-15(18)9-22(10-24-19)13-5-3-4-12(20)7-13/h3-8H,2,9-10H2,1H3
• InChIKey: HMICTBHFGSTDPR-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 42.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.24
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-(3-chlorophenyl)-4-ethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?

The IUPAC name of 6-chloro-9-(3-chlorophenyl)-4-ethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one (CID 3769534) is 6-chloro-9-(3-chlorophenyl)-4-ethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one.

What is the SMILES notation for 6-chloro-9-(3-chlorophenyl)-4-ethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?

The canonical SMILES for 6-chloro-9-(3-chlorophenyl)-4-ethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one is CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(c1cccc(Cl)c1)C3.

What is the InChIKey of 6-chloro-9-(3-chlorophenyl)-4-ethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?

The InChIKey is HMICTBHFGSTDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO3/c1-2-11-6-17(23)25-18-14(11)8-16(21)19-15(18)9-22(10-24-19)13-5-3-4-12(20)7-13/h3-8H,2,9-10H2,1H3.

What are the key properties of 6-chloro-9-(3-chlorophenyl)-4-ethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?

6-chloro-9-(3-chlorophenyl)-4-ethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one has a molecular weight of 376.24 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-9-(3-chlorophenyl)-4-ethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one is sourced from PubChem (CID 3769534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).