8-fluoro-10-methylpyrido[3,2-b][1,4]benzoxazine

C12H9FN2O — CID 146199322

IUPAC8-fluoro-10-methylpyrido[3,2-b][1,4]benzoxazine
SMILESCN1c2cc(F)ccc2Oc2cccnc21
InChIInChI=1S/C12H9FN2O/c1-15-9-7-8(13)4-5-10(9)16-11-3-2-6-14-12(11)15/h2-7H,1H3
InChIKeyRBEXTTZDKLHCJU-UHFFFAOYSA-N
MW216.22 g/mol
LogP3.09
Rot. Bonds

About 8-fluoro-10-methylpyrido[3,2-b][1,4]benzoxazine

8-fluoro-10-methylpyrido[3,2-b][1,4]benzoxazine (PubChem CID 146199322) has the molecular formula C12H9FN2O and a molecular weight of 216.22 g/mol. Its IUPAC name is 8-fluoro-10-methylpyrido[3,2-b][1,4]benzoxazine.

Molecular Properties

Compound Name8-fluoro-10-methylpyrido[3,2-b][1,4]benzoxazine
PubChem CID146199322
Molecular FormulaC12H9FN2O
Molecular Weight216.22 g/mol
Exact Mass216.07
IUPAC Name8-fluoro-10-methylpyrido[3,2-b][1,4]benzoxazine
SMILESCN1c2cc(F)ccc2Oc2cccnc21
InChIInChI=1S/C12H9FN2O/c1-15-9-7-8(13)4-5-10(9)16-11-3-2-6-14-12(11)15/h2-7H,1H3
InChIKeyRBEXTTZDKLHCJU-UHFFFAOYSA-N
XLogP3.09
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine
CID 165410285
N-(3-fluoro-4-methoxyphenyl)-5-methyl-6-oxopyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide
CID 53173599
N-(3,4-dimethylphenyl)-5-methyl-6-oxopyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide
CID 53173570
5-ethyl-N-(5-fluoro-2-methylphenyl)-6-oxopyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide
CID 53173623
2,8,10-trimethylphenoxazine
CID 20781562
(9-fluoro-5H-[1,5]benzodioxepino[3,4-b]pyridin-5-yl)methanamine
CID 165410339
N-(1,3-benzodioxol-5-yl)-5-methyl-6-oxopyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide
CID 53173550
2-(2-methoxyphenyl)-6-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59573551
8-methyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one
CID 166830056
2-(5-fluoro-3-methyl-1,3-benzoxazol-2-ylidene)-1-naphthalen-2-ylethanone
CID 141149437
N-(4-methoxy-2-methylphenyl)-5-methyl-6-oxopyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide
CID 53173602
4-[8-(3,5-difluoro-4-hydroxyphenyl)-10-methylphenoxazin-2-yl]-2,6-difluorophenol
CID 171073500

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-10-methylpyrido[3,2-b][1,4]benzoxazine?
The IUPAC name of 8-fluoro-10-methylpyrido[3,2-b][1,4]benzoxazine (CID 146199322) is 8-fluoro-10-methylpyrido[3,2-b][1,4]benzoxazine.
What is the SMILES notation for 8-fluoro-10-methylpyrido[3,2-b][1,4]benzoxazine?
The canonical SMILES for 8-fluoro-10-methylpyrido[3,2-b][1,4]benzoxazine is CN1c2cc(F)ccc2Oc2cccnc21.
What is the InChIKey of 8-fluoro-10-methylpyrido[3,2-b][1,4]benzoxazine?
The InChIKey is RBEXTTZDKLHCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O/c1-15-9-7-8(13)4-5-10(9)16-11-3-2-6-14-12(11)15/h2-7H,1H3.
What are the key properties of 8-fluoro-10-methylpyrido[3,2-b][1,4]benzoxazine?
8-fluoro-10-methylpyrido[3,2-b][1,4]benzoxazine has a molecular weight of 216.22 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-10-methylpyrido[3,2-b][1,4]benzoxazine is sourced from PubChem (CID 146199322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).