6-chloro-7-(methylamino)-2,3-dihydro-1,3-benzoxazin-4-one

C9H9ClN2O2 — CID 59564298

IUPAC6-chloro-7-(methylamino)-2,3-dihydro-1,3-benzoxazin-4-one
SMILESCNc1cc2c(cc1Cl)C(=O)NCO2
InChIInChI=1S/C9H9ClN2O2/c1-11-7-3-8-5(2-6(7)10)9(13)12-4-14-8/h2-3,11H,4H2,1H3,(H,12,13)
InChIKeyDLGNBIRQZBGWFD-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.46
Rot. Bonds1

About 6-chloro-7-(methylamino)-2,3-dihydro-1,3-benzoxazin-4-one

6-chloro-7-(methylamino)-2,3-dihydro-1,3-benzoxazin-4-one (PubChem CID 59564298) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 6-chloro-7-(methylamino)-2,3-dihydro-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name6-chloro-7-(methylamino)-2,3-dihydro-1,3-benzoxazin-4-one
PubChem CID59564298
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name6-chloro-7-(methylamino)-2,3-dihydro-1,3-benzoxazin-4-one
SMILESCNc1cc2c(cc1Cl)C(=O)NCO2
InChIInChI=1S/C9H9ClN2O2/c1-11-7-3-8-5(2-6(7)10)9(13)12-4-14-8/h2-3,11H,4H2,1H3,(H,12,13)
InChIKeyDLGNBIRQZBGWFD-UHFFFAOYSA-N
XLogP1.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(methylamino)-2,3-dihydro-1,3-benzoxazin-4-one?
The IUPAC name of 6-chloro-7-(methylamino)-2,3-dihydro-1,3-benzoxazin-4-one (CID 59564298) is 6-chloro-7-(methylamino)-2,3-dihydro-1,3-benzoxazin-4-one.
What is the SMILES notation for 6-chloro-7-(methylamino)-2,3-dihydro-1,3-benzoxazin-4-one?
The canonical SMILES for 6-chloro-7-(methylamino)-2,3-dihydro-1,3-benzoxazin-4-one is CNc1cc2c(cc1Cl)C(=O)NCO2.
What is the InChIKey of 6-chloro-7-(methylamino)-2,3-dihydro-1,3-benzoxazin-4-one?
The InChIKey is DLGNBIRQZBGWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-11-7-3-8-5(2-6(7)10)9(13)12-4-14-8/h2-3,11H,4H2,1H3,(H,12,13).
What are the key properties of 6-chloro-7-(methylamino)-2,3-dihydro-1,3-benzoxazin-4-one?
6-chloro-7-(methylamino)-2,3-dihydro-1,3-benzoxazin-4-one has a molecular weight of 212.64 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(methylamino)-2,3-dihydro-1,3-benzoxazin-4-one is sourced from PubChem (CID 59564298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).