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

C12H16N2O2 — CID 82230967

IUPAC6-amino-8-ethyl-2,4-dimethyl-1,4-benzoxazin-3-one
SMILESCCc1cc(N)cc2c1OC(C)C(=O)N2C
InChIInChI=1S/C12H16N2O2/c1-4-8-5-9(13)6-10-11(8)16-7(2)12(15)14(10)3/h5-7H,4,13H2,1-3H3
InChIKeyFBMQQBHYMFQSIL-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.57
Rot. Bonds1

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

6-amino-8-ethyl-2,4-dimethyl-1,4-benzoxazin-3-one (PubChem CID 82230967) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-amino-8-ethyl-2,4-dimethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-amino-8-ethyl-2,4-dimethyl-1,4-benzoxazin-3-one
PubChem CID82230967
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name6-amino-8-ethyl-2,4-dimethyl-1,4-benzoxazin-3-one
SMILESCCc1cc(N)cc2c1OC(C)C(=O)N2C
InChIInChI=1S/C12H16N2O2/c1-4-8-5-9(13)6-10-11(8)16-7(2)12(15)14(10)3/h5-7H,4,13H2,1-3H3
InChIKeyFBMQQBHYMFQSIL-UHFFFAOYSA-N
XLogP1.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

8-(2-aminoethyl)-6-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one
CID 82275415
6-bromo-2,8-diethyl-4-methyl-1,4-benzoxazin-3-one
CID 82234097
2,4-dimethyl-3-oxo-8-propoxy-1,4-benzoxazine-6-carbaldehyde
CID 82156007
(2R)-6-chloro-2,4-dimethyl-8-nitro-1,4-benzoxazin-3-one
CID 58651139
6-(hydroxymethyl)-8-methoxy-2,4-dimethyl-1,4-benzoxazin-3-one
CID 82155635
8-amino-6-chloro-2-ethyl-4-methyl-1,4-benzoxazin-3-one
CID 82231890
7-iodo-2,4-dimethyl-1,4-benzoxazin-3-one
CID 79788265
7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one
CID 116994977
7-(1-aminopropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one
CID 116994975
(3R)-1,3-dimethyl-4,1-benzoxazepine-2,5-dione
CID 643298
2,6-diethylbenzene-1,4-diamine
CID 10154207
2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
CID 116995057

Frequently Asked Questions

What is the IUPAC name of 6-amino-8-ethyl-2,4-dimethyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-amino-8-ethyl-2,4-dimethyl-1,4-benzoxazin-3-one (CID 82230967) is 6-amino-8-ethyl-2,4-dimethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-amino-8-ethyl-2,4-dimethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-amino-8-ethyl-2,4-dimethyl-1,4-benzoxazin-3-one is CCc1cc(N)cc2c1OC(C)C(=O)N2C.
What is the InChIKey of 6-amino-8-ethyl-2,4-dimethyl-1,4-benzoxazin-3-one?
The InChIKey is FBMQQBHYMFQSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-4-8-5-9(13)6-10-11(8)16-7(2)12(15)14(10)3/h5-7H,4,13H2,1-3H3.
What are the key properties of 6-amino-8-ethyl-2,4-dimethyl-1,4-benzoxazin-3-one?
6-amino-8-ethyl-2,4-dimethyl-1,4-benzoxazin-3-one has a molecular weight of 220.27 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-ethyl-2,4-dimethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82230967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).