7-fluoro-4-methyl-6-(4,5,6,7-tetrahydroisoindol-2-yl)-1,4-benzoxazin-3-one

C17H17FN2O2 — CID 163842886

IUPAC7-fluoro-4-methyl-6-(4,5,6,7-tetrahydroisoindol-2-yl)-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2cc(F)c(-n3cc4c(c3)CCCC4)cc21
InChIInChI=1S/C17H17FN2O2/c1-19-15-7-14(13(18)6-16(15)22-10-17(19)21)20-8-11-4-2-3-5-12(11)9-20/h6-9H,2-5,10H2,1H3
InChIKeyONOLDFQCPXXQPW-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.85
Rot. Bonds1

About 7-fluoro-4-methyl-6-(4,5,6,7-tetrahydroisoindol-2-yl)-1,4-benzoxazin-3-one

7-fluoro-4-methyl-6-(4,5,6,7-tetrahydroisoindol-2-yl)-1,4-benzoxazin-3-one (PubChem CID 163842886) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 7-fluoro-4-methyl-6-(4,5,6,7-tetrahydroisoindol-2-yl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-fluoro-4-methyl-6-(4,5,6,7-tetrahydroisoindol-2-yl)-1,4-benzoxazin-3-one
PubChem CID163842886
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name7-fluoro-4-methyl-6-(4,5,6,7-tetrahydroisoindol-2-yl)-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2cc(F)c(-n3cc4c(c3)CCCC4)cc21
InChIInChI=1S/C17H17FN2O2/c1-19-15-7-14(13(18)6-16(15)22-10-17(19)21)20-8-11-4-2-3-5-12(11)9-20/h6-9H,2-5,10H2,1H3
InChIKeyONOLDFQCPXXQPW-UHFFFAOYSA-N
XLogP2.85
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-4-methyl-6-(4,5,6,7-tetrahydroisoindol-2-yl)-1,4-benzoxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

N-(2-Fluoro-benzyl)-2-(3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-pyridin-3-ylmethyl-acetamide
CID 650865
N-(3-Fluoro-benzyl)-2-(3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-pyridin-3-ylmethyl-acetamide
CID 655205
4-[[2-Fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,4-benzoxazin-3-one
CID 71540490
6-[4-fluoro-N-(pyridin-3-ylmethyl)anilino]-4H-1,4-benzoxazin-3-one
CID 127032035
N-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(1-methyl-1H-pyrrol-2-yl)ethyl)-2-(2-fluorophenoxy)acetamide
CID 44055255
N-butyl-N-[2-[4-(4-fluorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 4988812
6-Fluoro-2-methyl-4-(pyridin-4-ylmethyl)-1,4-benzoxazin-3-one
CID 126472418
7-fluoro-4-(pyridin-2-ylmethyl)-6-(4,5,6,7-tetrahydro-2H-isoindole-1,3-dion-2-yl)-2H-1,4-benzoxazin-3(4H)-one
CID 14423596
1-[7-Fluoro-3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]-3,4-dimethylpyrrole-2,5-dione
CID 14423608
6-(1-ethoxy-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-2-yl)-7-fluoro-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 14423623
7-Fluoro-4-prop-2-ynyl-6-(4,5,6,7-tetrahydroisoindol-2-yl)-1,4-benzoxazin-3-one
CID 14823116
4-ethoxy-7-fluoro-6-(4,5,6,7-tetrahydroisoindole-2-yl)1,4-benzoxazin-3(4H)-one
CID 19006208

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methyl-6-(4,5,6,7-tetrahydroisoindol-2-yl)-1,4-benzoxazin-3-one?
The IUPAC name of 7-fluoro-4-methyl-6-(4,5,6,7-tetrahydroisoindol-2-yl)-1,4-benzoxazin-3-one (CID 163842886) is 7-fluoro-4-methyl-6-(4,5,6,7-tetrahydroisoindol-2-yl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-fluoro-4-methyl-6-(4,5,6,7-tetrahydroisoindol-2-yl)-1,4-benzoxazin-3-one?
The canonical SMILES for 7-fluoro-4-methyl-6-(4,5,6,7-tetrahydroisoindol-2-yl)-1,4-benzoxazin-3-one is CN1C(=O)COc2cc(F)c(-n3cc4c(c3)CCCC4)cc21.
What is the InChIKey of 7-fluoro-4-methyl-6-(4,5,6,7-tetrahydroisoindol-2-yl)-1,4-benzoxazin-3-one?
The InChIKey is ONOLDFQCPXXQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-19-15-7-14(13(18)6-16(15)22-10-17(19)21)20-8-11-4-2-3-5-12(11)9-20/h6-9H,2-5,10H2,1H3.
What are the key properties of 7-fluoro-4-methyl-6-(4,5,6,7-tetrahydroisoindol-2-yl)-1,4-benzoxazin-3-one?
7-fluoro-4-methyl-6-(4,5,6,7-tetrahydroisoindol-2-yl)-1,4-benzoxazin-3-one has a molecular weight of 300.33 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methyl-6-(4,5,6,7-tetrahydroisoindol-2-yl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 163842886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).