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

C18H14ClNO3 — CID 709032

IUPAC9-(4-chlorophenyl)-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
SMILESCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(Cl)cc1)C3
InChIInChI=1S/C18H14ClNO3/c1-11-8-17(21)23-18-14(11)6-7-16-15(18)9-20(10-22-16)13-4-2-12(19)3-5-13/h2-8H,9-10H2,1H3
InChIKeyGFEUEIVFZGADOL-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.11
Rot. Bonds1

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

9-(4-chlorophenyl)-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one (PubChem CID 709032) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is 9-(4-chlorophenyl)-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one.

Molecular Properties

Compound Name9-(4-chlorophenyl)-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
PubChem CID709032
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Name9-(4-chlorophenyl)-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
SMILESCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(Cl)cc1)C3
InChIInChI=1S/C18H14ClNO3/c1-11-8-17(21)23-18-14(11)6-7-16-15(18)9-20(10-22-16)13-4-2-12(19)3-5-13/h2-8H,9-10H2,1H3
InChIKeyGFEUEIVFZGADOL-UHFFFAOYSA-N
XLogP4.11
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-(4-chlorophenyl)-4-methyl-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-(4-chlorophenyl)-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
The IUPAC name of 9-(4-chlorophenyl)-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one (CID 709032) is 9-(4-chlorophenyl)-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one.
What is the SMILES notation for 9-(4-chlorophenyl)-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
The canonical SMILES for 9-(4-chlorophenyl)-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one is Cc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(Cl)cc1)C3.
What is the InChIKey of 9-(4-chlorophenyl)-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
The InChIKey is GFEUEIVFZGADOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-11-8-17(21)23-18-14(11)6-7-16-15(18)9-20(10-22-16)13-4-2-12(19)3-5-13/h2-8H,9-10H2,1H3.
What are the key properties of 9-(4-chlorophenyl)-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
9-(4-chlorophenyl)-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one has a molecular weight of 327.77 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorophenyl)-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one is sourced from PubChem (CID 709032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).