2-(2-fluorophenyl)-6,7,8-trimethoxy-3,1-benzoxazin-4-one

C17H14FNO5 — CID 118913443

IUPAC2-(2-fluorophenyl)-6,7,8-trimethoxy-3,1-benzoxazin-4-one
SMILESCOc1cc2c(=O)oc(-c3ccccc3F)nc2c(OC)c1OC
InChIInChI=1S/C17H14FNO5/c1-21-12-8-10-13(15(23-3)14(12)22-2)19-16(24-17(10)20)9-6-4-5-7-11(9)18/h4-8H,1-3H3
InChIKeyMPUQPRRRSIUOEN-UHFFFAOYSA-N
MW331.30 g/mol
LogP3.02
Rot. Bonds4

About 2-(2-fluorophenyl)-6,7,8-trimethoxy-3,1-benzoxazin-4-one

2-(2-fluorophenyl)-6,7,8-trimethoxy-3,1-benzoxazin-4-one (PubChem CID 118913443) has the molecular formula C17H14FNO5 and a molecular weight of 331.30 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-6,7,8-trimethoxy-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-6,7,8-trimethoxy-3,1-benzoxazin-4-one
PubChem CID118913443
Molecular FormulaC17H14FNO5
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC Name2-(2-fluorophenyl)-6,7,8-trimethoxy-3,1-benzoxazin-4-one
SMILESCOc1cc2c(=O)oc(-c3ccccc3F)nc2c(OC)c1OC
InChIInChI=1S/C17H14FNO5/c1-21-12-8-10-13(15(23-3)14(12)22-2)19-16(24-17(10)20)9-6-4-5-7-11(9)18/h4-8H,1-3H3
InChIKeyMPUQPRRRSIUOEN-UHFFFAOYSA-N
XLogP3.02
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-fluorophenyl)-6,7,8-trimethoxy-3,1-benzoxazin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

6,7,8-trimethoxy-2-[3-(trifluoromethyl)phenyl]-3,1-benzoxazin-4-one
CID 2799160
2-(2-methoxyphenyl)-8-methyl-3,1-benzoxazin-4-one
CID 11149809
6-bromo-2-(2-fluorophenyl)-3,1-benzoxazin-4-one
CID 132786054
N-[2-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 53055687
(4Z)-2-(2-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 1270679
2-[4-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)-2,5-dimethylphenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one
CID 143956178
17-(2-fluorophenyl)-4,5,10,11,20-pentapentoxy-18-oxa-16-azapentacyclo[12.7.0.02,7.08,13.015,19]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene
CID 171762099
5-fluoro-2-(2-fluoro-4-methoxyphenyl)-3,1-benzoxazin-4-one
CID 118913437
2-(2,3-dichlorophenyl)-6,7-difluoro-3,1-benzoxazin-4-one
CID 21262496
2-(2-chlorophenyl)-6,7-diethoxy-3,1-benzoxazin-4-one
CID 8012933
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,6-dimethoxybenzamide
CID 19630286
6-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one
CID 10400770

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-6,7,8-trimethoxy-3,1-benzoxazin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-6,7,8-trimethoxy-3,1-benzoxazin-4-one (CID 118913443) is 2-(2-fluorophenyl)-6,7,8-trimethoxy-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-6,7,8-trimethoxy-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-6,7,8-trimethoxy-3,1-benzoxazin-4-one is COc1cc2c(=O)oc(-c3ccccc3F)nc2c(OC)c1OC.
What is the InChIKey of 2-(2-fluorophenyl)-6,7,8-trimethoxy-3,1-benzoxazin-4-one?
The InChIKey is MPUQPRRRSIUOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO5/c1-21-12-8-10-13(15(23-3)14(12)22-2)19-16(24-17(10)20)9-6-4-5-7-11(9)18/h4-8H,1-3H3.
What are the key properties of 2-(2-fluorophenyl)-6,7,8-trimethoxy-3,1-benzoxazin-4-one?
2-(2-fluorophenyl)-6,7,8-trimethoxy-3,1-benzoxazin-4-one has a molecular weight of 331.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-6,7,8-trimethoxy-3,1-benzoxazin-4-one is sourced from PubChem (CID 118913443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).