2-(N-ethylanilino)-1,3-benzoxazin-4-one

C16H14N2O2 — CID 59485236

IUPAC2-(N-ethylanilino)-1,3-benzoxazin-4-one
SMILESCCN(c1ccccc1)c1nc(=O)c2ccccc2o1
InChIInChI=1S/C16H14N2O2/c1-2-18(12-8-4-3-5-9-12)16-17-15(19)13-10-6-7-11-14(13)20-16/h3-11H,2H2,1H3
InChIKeyCIPNWZWDKHCBEX-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.35
Rot. Bonds3

About 2-(N-ethylanilino)-1,3-benzoxazin-4-one

2-(N-ethylanilino)-1,3-benzoxazin-4-one (PubChem CID 59485236) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(N-ethylanilino)-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name2-(N-ethylanilino)-1,3-benzoxazin-4-one
PubChem CID59485236
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(N-ethylanilino)-1,3-benzoxazin-4-one
SMILESCCN(c1ccccc1)c1nc(=O)c2ccccc2o1
InChIInChI=1S/C16H14N2O2/c1-2-18(12-8-4-3-5-9-12)16-17-15(19)13-10-6-7-11-14(13)20-16/h3-11H,2H2,1H3
InChIKeyCIPNWZWDKHCBEX-UHFFFAOYSA-N
XLogP3.35
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylaminomethyl)-1,3-benzoxazin-4-one
CID 14146192
N-ethyl-N-phenylnaphtho[1,2-b][1]benzofuran-4-amine
CID 126701340
2-N-ethyl-2-N-phenyl-1,3,4-oxadiazole-2,5-diamine
CID 103436569
2-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]-1,3-benzoxazin-4-one
CID 68742008
N-(3-methylbutyl)-N-phenyl-1,3-benzoxazol-2-amine
CID 57475909
N-ethyl-N-phenylnaphthalen-1-amine;methane
CID 143268632
propane;xanthen-9-one
CID 90876458
N,N-diphenyl-1,3-benzoxazol-2-amine
CID 101462195
2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one
CID 135685723
N-ethyl-N-phenylphenanthren-9-amine
CID 126656555
3-(diethylamino)-4-trimethylsilylchromen-2-one
CID 175690381
2-(4-chlorophenyl)-1,3-benzoxazin-4-one
CID 754553

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylanilino)-1,3-benzoxazin-4-one?
The IUPAC name of 2-(N-ethylanilino)-1,3-benzoxazin-4-one (CID 59485236) is 2-(N-ethylanilino)-1,3-benzoxazin-4-one.
What is the SMILES notation for 2-(N-ethylanilino)-1,3-benzoxazin-4-one?
The canonical SMILES for 2-(N-ethylanilino)-1,3-benzoxazin-4-one is CCN(c1ccccc1)c1nc(=O)c2ccccc2o1.
What is the InChIKey of 2-(N-ethylanilino)-1,3-benzoxazin-4-one?
The InChIKey is CIPNWZWDKHCBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-18(12-8-4-3-5-9-12)16-17-15(19)13-10-6-7-11-14(13)20-16/h3-11H,2H2,1H3.
What are the key properties of 2-(N-ethylanilino)-1,3-benzoxazin-4-one?
2-(N-ethylanilino)-1,3-benzoxazin-4-one has a molecular weight of 266.30 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethylanilino)-1,3-benzoxazin-4-one is sourced from PubChem (CID 59485236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).