12-(2-bromophenyl)-9-fluoro-6,11b-dihydroquinazolino[1,2-c][1,3]benzoxazin-13-one

C21H14BrFN2O2 — CID 122203103

IUPAC12-(2-bromophenyl)-9-fluoro-6,11b-dihydroquinazolino[1,2-c][1,3]benzoxazin-13-one
SMILESO=C1c2ccccc2N2COc3cc(F)ccc3C2N1c1ccccc1Br
InChIInChI=1S/C21H14BrFN2O2/c22-16-6-2-4-8-18(16)25-20-15-10-9-13(23)11-19(15)27-12-24(20)17-7-3-1-5-14(17)21(25)26/h1-11,20H,12H2
InChIKeyMDRMTINBPGLHFU-UHFFFAOYSA-N
MW425.26 g/mol
LogP5.10
Rot. Bonds1

About 12-(2-bromophenyl)-9-fluoro-6,11b-dihydroquinazolino[1,2-c][1,3]benzoxazin-13-one

12-(2-bromophenyl)-9-fluoro-6,11b-dihydroquinazolino[1,2-c][1,3]benzoxazin-13-one (PubChem CID 122203103) has the molecular formula C21H14BrFN2O2 and a molecular weight of 425.26 g/mol. Its IUPAC name is 12-(2-bromophenyl)-9-fluoro-6,11b-dihydroquinazolino[1,2-c][1,3]benzoxazin-13-one.

Molecular Properties

Compound Name12-(2-bromophenyl)-9-fluoro-6,11b-dihydroquinazolino[1,2-c][1,3]benzoxazin-13-one
PubChem CID122203103
Molecular FormulaC21H14BrFN2O2
Molecular Weight425.26 g/mol
Exact Mass424.02
IUPAC Name12-(2-bromophenyl)-9-fluoro-6,11b-dihydroquinazolino[1,2-c][1,3]benzoxazin-13-one
SMILESO=C1c2ccccc2N2COc3cc(F)ccc3C2N1c1ccccc1Br
InChIInChI=1S/C21H14BrFN2O2/c22-16-6-2-4-8-18(16)25-20-15-10-9-13(23)11-19(15)27-12-24(20)17-7-3-1-5-14(17)21(25)26/h1-11,20H,12H2
InChIKeyMDRMTINBPGLHFU-UHFFFAOYSA-N
XLogP5.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.26
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12-(2-bromophenyl)-9-fluoro-6,11b-dihydroquinazolino[1,2-c][1,3]benzoxazin-13-one with MolForge

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Related Compounds

4-bromo-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one
CID 10757751
6-(2-fluorophenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 3812393
8-bromo-5-(2-methylphenyl)-12,13-dihydro-4bH-isoquinolino[2,1-a]quinazolin-6-one
CID 102599752
3-chloro-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one
CID 10516298
(2S)-3-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 9007630
2-(3-bromo-2-methylphenyl)-5-fluoroisoindole-1,3-dione
CID 59375008
(6aS)-6-(dimethylamino)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 7353211
4-(2-bromo-4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 61063626
1-(2-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79514402
3-(2-bromophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115063936
2-(3,5-dibromo-2-hydroxyphenyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 176687452
(3S)-1-(2-bromophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 98188351

Frequently Asked Questions

What is the IUPAC name of 12-(2-bromophenyl)-9-fluoro-6,11b-dihydroquinazolino[1,2-c][1,3]benzoxazin-13-one?
The IUPAC name of 12-(2-bromophenyl)-9-fluoro-6,11b-dihydroquinazolino[1,2-c][1,3]benzoxazin-13-one (CID 122203103) is 12-(2-bromophenyl)-9-fluoro-6,11b-dihydroquinazolino[1,2-c][1,3]benzoxazin-13-one.
What is the SMILES notation for 12-(2-bromophenyl)-9-fluoro-6,11b-dihydroquinazolino[1,2-c][1,3]benzoxazin-13-one?
The canonical SMILES for 12-(2-bromophenyl)-9-fluoro-6,11b-dihydroquinazolino[1,2-c][1,3]benzoxazin-13-one is O=C1c2ccccc2N2COc3cc(F)ccc3C2N1c1ccccc1Br.
What is the InChIKey of 12-(2-bromophenyl)-9-fluoro-6,11b-dihydroquinazolino[1,2-c][1,3]benzoxazin-13-one?
The InChIKey is MDRMTINBPGLHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrFN2O2/c22-16-6-2-4-8-18(16)25-20-15-10-9-13(23)11-19(15)27-12-24(20)17-7-3-1-5-14(17)21(25)26/h1-11,20H,12H2.
What are the key properties of 12-(2-bromophenyl)-9-fluoro-6,11b-dihydroquinazolino[1,2-c][1,3]benzoxazin-13-one?
12-(2-bromophenyl)-9-fluoro-6,11b-dihydroquinazolino[1,2-c][1,3]benzoxazin-13-one has a molecular weight of 425.26 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2-bromophenyl)-9-fluoro-6,11b-dihydroquinazolino[1,2-c][1,3]benzoxazin-13-one is sourced from PubChem (CID 122203103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).