8-amino-6-chloro-2-ethyl-4-methyl-1,4-benzoxazin-3-one

C11H13ClN2O2 — CID 82231890

IUPAC8-amino-6-chloro-2-ethyl-4-methyl-1,4-benzoxazin-3-one
SMILESCCC1Oc2c(N)cc(Cl)cc2N(C)C1=O
InChIInChI=1S/C11H13ClN2O2/c1-3-9-11(15)14(2)8-5-6(12)4-7(13)10(8)16-9/h4-5,9H,3,13H2,1-2H3
InChIKeyBDRFDVPZRRXBTB-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.06
Rot. Bonds1

About 8-amino-6-chloro-2-ethyl-4-methyl-1,4-benzoxazin-3-one

8-amino-6-chloro-2-ethyl-4-methyl-1,4-benzoxazin-3-one (PubChem CID 82231890) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 8-amino-6-chloro-2-ethyl-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name8-amino-6-chloro-2-ethyl-4-methyl-1,4-benzoxazin-3-one
PubChem CID82231890
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name8-amino-6-chloro-2-ethyl-4-methyl-1,4-benzoxazin-3-one
SMILESCCC1Oc2c(N)cc(Cl)cc2N(C)C1=O
InChIInChI=1S/C11H13ClN2O2/c1-3-9-11(15)14(2)8-5-6(12)4-7(13)10(8)16-9/h4-5,9H,3,13H2,1-2H3
InChIKeyBDRFDVPZRRXBTB-UHFFFAOYSA-N
XLogP2.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-bromo-8-chloro-2-ethyl-4-methyl-1,4-benzoxazin-3-one
CID 82234205
6-bromo-2,8-diethyl-4-methyl-1,4-benzoxazin-3-one
CID 82234097
8-amino-6-chloro-4-methyl-1,4-benzoxazin-3-one
CID 75355772
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-2-ethyl-4-methyl-N-oxido-3-oxo-1,4-benzoxazine-8-carboxamide
CID 86743680
N-(6-chloro-2-ethyl-4-methyl-3-oxo-1,4-benzoxazine-8-carbonyl)-1-azabicyclo[2.2.2]octan-3-amine oxide
CID 86743679
2-ethyl-7-(hydroxymethyl)-4-methyl-1,4-benzoxazin-3-one
CID 82338580
6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one
CID 82025543
(2R)-6-chloro-2,4-dimethyl-8-nitro-1,4-benzoxazin-3-one
CID 58651139
6-amino-8-ethyl-2,4-dimethyl-1,4-benzoxazin-3-one
CID 82230967
4-(2-amino-2-methylpropyl)-6-chloro-2-ethyl-1,4-benzoxazin-3-one
CID 82143212
7-bromo-5-chloro-2-ethyl-1-benzofuran-3-one
CID 64661205
2-ethyl-6-(1-hydroxyethyl)-4-methyl-1,4-benzoxazin-3-one
CID 82354955

Frequently Asked Questions

What is the IUPAC name of 8-amino-6-chloro-2-ethyl-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 8-amino-6-chloro-2-ethyl-4-methyl-1,4-benzoxazin-3-one (CID 82231890) is 8-amino-6-chloro-2-ethyl-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 8-amino-6-chloro-2-ethyl-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 8-amino-6-chloro-2-ethyl-4-methyl-1,4-benzoxazin-3-one is CCC1Oc2c(N)cc(Cl)cc2N(C)C1=O.
What is the InChIKey of 8-amino-6-chloro-2-ethyl-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is BDRFDVPZRRXBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-3-9-11(15)14(2)8-5-6(12)4-7(13)10(8)16-9/h4-5,9H,3,13H2,1-2H3.
What are the key properties of 8-amino-6-chloro-2-ethyl-4-methyl-1,4-benzoxazin-3-one?
8-amino-6-chloro-2-ethyl-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 240.69 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-chloro-2-ethyl-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82231890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).