6-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one

C16H16N2O2 — CID 82022163

IUPAC6-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one
SMILESCCN1C(=O)C(c2ccccc2)Oc2ccc(N)cc21
InChIInChI=1S/C16H16N2O2/c1-2-18-13-10-12(17)8-9-14(13)20-15(16(18)19)11-6-4-3-5-7-11/h3-10,15H,2,17H2,1H3
InChIKeyYPFADFJGIFRWHJ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.76
Rot. Bonds2

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

6-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one (PubChem CID 82022163) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one
PubChem CID82022163
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name6-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one
SMILESCCN1C(=O)C(c2ccccc2)Oc2ccc(N)cc21
InChIInChI=1S/C16H16N2O2/c1-2-18-13-10-12(17)8-9-14(13)20-15(16(18)19)11-6-4-3-5-7-11/h3-10,15H,2,17H2,1H3
InChIKeyYPFADFJGIFRWHJ-UHFFFAOYSA-N
XLogP2.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.76
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-amino-2-phenyl-4-propyl-1,4-benzoxazin-3-one
CID 82022162
6-amino-4-(2-methylpropyl)-2-phenyl-1,4-benzoxazin-3-one
CID 82022157
5-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one
CID 82346261
(2E)-6-amino-2-benzylidene-4-ethyl-1,4-benzoxazin-3-one
CID 28863092
2-(3-aminophenyl)-4-methyl-1,4-benzoxazin-3-one
CID 116990980
3-(6-chloro-3-oxo-2-phenyl-1,4-benzoxazin-4-yl)propanoic acid
CID 24738904
4-(1-aminopropan-2-yl)-6-fluoro-2-phenyl-1,4-benzoxazin-3-one
CID 82143059
4-(4-aminobutyl)-2-phenyl-1,4-benzoxazin-3-one
CID 82022144
2-(6-amino-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide
CID 82022094
6-amino-4-(4-aminobutyl)-2-methyl-1,4-benzoxazin-3-one
CID 115201020
6-amino-2,2-diethyl-4-prop-2-ynyl-1,4-benzoxazin-3-one
CID 82162379
methyl 2-[(2S)-6-nitro-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]acetate
CID 28561226

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one (CID 82022163) is 6-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one is CCN1C(=O)C(c2ccccc2)Oc2ccc(N)cc21.
What is the InChIKey of 6-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one?
The InChIKey is YPFADFJGIFRWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-18-13-10-12(17)8-9-14(13)20-15(16(18)19)11-6-4-3-5-7-11/h3-10,15H,2,17H2,1H3.
What are the key properties of 6-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one?
6-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one has a molecular weight of 268.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82022163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).