5-chloro-4H-benzo[h][1,4]benzoxazin-3-one

C12H8ClNO2 — CID 121012100

IUPAC5-chloro-4H-benzo[h][1,4]benzoxazin-3-one
SMILESO=C1COc2c(c(Cl)cc3ccccc23)N1
InChIInChI=1S/C12H8ClNO2/c13-9-5-7-3-1-2-4-8(7)12-11(9)14-10(15)6-16-12/h1-5H,6H2,(H,14,15)
InChIKeyFBCNOIZIVREBMC-UHFFFAOYSA-N
MW233.65 g/mol
LogP2.82
Rot. Bonds

About 5-chloro-4H-benzo[h][1,4]benzoxazin-3-one

5-chloro-4H-benzo[h][1,4]benzoxazin-3-one (PubChem CID 121012100) has the molecular formula C12H8ClNO2 and a molecular weight of 233.65 g/mol. Its IUPAC name is 5-chloro-4H-benzo[h][1,4]benzoxazin-3-one.

Molecular Properties

Compound Name5-chloro-4H-benzo[h][1,4]benzoxazin-3-one
PubChem CID121012100
Molecular FormulaC12H8ClNO2
Molecular Weight233.65 g/mol
Exact Mass233.02
IUPAC Name5-chloro-4H-benzo[h][1,4]benzoxazin-3-one
SMILESO=C1COc2c(c(Cl)cc3ccccc23)N1
InChIInChI=1S/C12H8ClNO2/c13-9-5-7-3-1-2-4-8(7)12-11(9)14-10(15)6-16-12/h1-5H,6H2,(H,14,15)
InChIKeyFBCNOIZIVREBMC-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-8-hydroxy-4H-1,4-benzoxazin-3-one
CID 137370152
6,8-dichloro-4H-1,4-benzoxazin-3-one
CID 50878739
8-chloro-6-[(2-oxo-1H-quinolin-3-yl)methyl]-4H-1,4-benzoxazin-3-one
CID 166458027
8-chloro-6-methyl-4H-1,4-benzoxazin-3-one
CID 84667909
6-amino-5,7-dichloro-4H-1,4-benzoxazin-3-one
CID 82231475
4H-1,4-benzoxazin-3-one;naphthalene
CID 165122765
6-butyl-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione
CID 657764
9-bromobenzo[f][1]benzofuran-3-one
CID 61030010
4-chloro-2-(3-fluorophenyl)-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 86671766
4-chloro-2-[(E)-2-phenylethenyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 59138887
8-bromo-6,9-dichloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82234328
8-tert-butyl-5-hydroxy-4H-1,4-benzoxazin-3-one
CID 58505137

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4H-benzo[h][1,4]benzoxazin-3-one?
The IUPAC name of 5-chloro-4H-benzo[h][1,4]benzoxazin-3-one (CID 121012100) is 5-chloro-4H-benzo[h][1,4]benzoxazin-3-one.
What is the SMILES notation for 5-chloro-4H-benzo[h][1,4]benzoxazin-3-one?
The canonical SMILES for 5-chloro-4H-benzo[h][1,4]benzoxazin-3-one is O=C1COc2c(c(Cl)cc3ccccc23)N1.
What is the InChIKey of 5-chloro-4H-benzo[h][1,4]benzoxazin-3-one?
The InChIKey is FBCNOIZIVREBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO2/c13-9-5-7-3-1-2-4-8(7)12-11(9)14-10(15)6-16-12/h1-5H,6H2,(H,14,15).
What are the key properties of 5-chloro-4H-benzo[h][1,4]benzoxazin-3-one?
5-chloro-4H-benzo[h][1,4]benzoxazin-3-one has a molecular weight of 233.65 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4H-benzo[h][1,4]benzoxazin-3-one is sourced from PubChem (CID 121012100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).