2-anilino-3,1-benzoxazin-4-one

C14H10N2O2 — CID 589883

IUPAC2-anilino-3,1-benzoxazin-4-one
SMILESO=c1oc(Nc2ccccc2)nc2ccccc12
InChIInChI=1S/C14H10N2O2/c17-13-11-8-4-5-9-12(11)16-14(18-13)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)
InChIKeyUUMLXNZZKFQMMR-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.93
Rot. Bonds2

About 2-anilino-3,1-benzoxazin-4-one

2-anilino-3,1-benzoxazin-4-one (PubChem CID 589883) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-anilino-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-anilino-3,1-benzoxazin-4-one
PubChem CID589883
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name2-anilino-3,1-benzoxazin-4-one
SMILESO=c1oc(Nc2ccccc2)nc2ccccc12
InChIInChI=1S/C14H10N2O2/c17-13-11-8-4-5-9-12(11)16-14(18-13)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)
InChIKeyUUMLXNZZKFQMMR-UHFFFAOYSA-N
XLogP2.93
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl N-methylanthranilate
CID 6826
Isatoic Anhydride
CID 8359
Methyl n-acetylanthranilate
CID 17623
N-Benzoylanthranilate
CID 5091716
2-(4-Fluorobenzoylamino)benzoic acid methyl ester
CID 310557
2-(3-chloroanilino)-4H-3,1-benzoxazin-4-one
CID 2767224
4H-3,1-Benzoxazin-4-one, 5-ethyl-2-[(1-methylethyl)amino]-
CID 13853520
2-(2-chloroanilino)-4H-3,1-benzoxazin-4-one
CID 2767223
3,1-Benzoxazin-4-one, 2-(1-piperidyl)-
CID 589620
Methyl 2-(3-phenylpropanoylamino)benzoate
CID 903133
2-Ethylamino-benzo[d][1,3]oxazin-4-one
CID 9920598
2-Butylamino-benzo[d][1,3]oxazin-4-one
CID 10198315

Frequently Asked Questions

What is the IUPAC name of 2-anilino-3,1-benzoxazin-4-one?
The IUPAC name of 2-anilino-3,1-benzoxazin-4-one (CID 589883) is 2-anilino-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-anilino-3,1-benzoxazin-4-one?
The canonical SMILES for 2-anilino-3,1-benzoxazin-4-one is O=c1oc(Nc2ccccc2)nc2ccccc12.
What is the InChIKey of 2-anilino-3,1-benzoxazin-4-one?
The InChIKey is UUMLXNZZKFQMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-13-11-8-4-5-9-12(11)16-14(18-13)15-10-6-2-1-3-7-10/h1-9H,(H,15,16).
What are the key properties of 2-anilino-3,1-benzoxazin-4-one?
2-anilino-3,1-benzoxazin-4-one has a molecular weight of 238.25 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3,1-benzoxazin-4-one is sourced from PubChem (CID 589883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).