2-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride

C9H7ClN2O3 — CID 140987273

IUPAC2-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc2ncc(=O)oc12
InChIInChI=1S/C9H6N2O3.ClH/c10-9(13)5-2-1-3-6-8(5)14-7(12)4-11-6;/h1-4H,(H2,10,13);1H
InChIKeyPYMZEIDFVAGHGH-UHFFFAOYSA-N
MW226.62 g/mol
LogP0.71
Rot. Bonds1

About 2-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride

2-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride (PubChem CID 140987273) has the molecular formula C9H7ClN2O3 and a molecular weight of 226.62 g/mol. Its IUPAC name is 2-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride
PubChem CID140987273
Molecular FormulaC9H7ClN2O3
Molecular Weight226.62 g/mol
Exact Mass226.01
IUPAC Name2-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc2ncc(=O)oc12
InChIInChI=1S/C9H6N2O3.ClH/c10-9(13)5-2-1-3-6-8(5)14-7(12)4-11-6;/h1-4H,(H2,10,13);1H
InChIKeyPYMZEIDFVAGHGH-UHFFFAOYSA-N
XLogP0.71
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.62
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-1,4-benzoxazine-8-carboxamide
CID 140987274
2-(aminomethyl)-1,3-benzoxazole-7-carboxamide
CID 118853991
2-acetyl-1,3-benzoxazole-7-carboxamide
CID 119020331
1,4-benzoxazin-2-one;hydrochloride
CID 154928875
3-methylquinoxaline-5-carboxamide
CID 58369280
pyrido[2,3-h][1,4]benzoxazin-2-one
CID 141055478
3-phenylquinoline-5-carboxamide
CID 19033241
2-furo[3,2-c]quinolin-2-ylbenzamide
CID 142717445
2-oxochromene-8-carboxamide;pyridine-2-sulfonyl chloride
CID 175175299
2-[4-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide
CID 46847384
phenazine-1-carboxamide
CID 141278918
2-(7-carbamoyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylic acid
CID 91442299

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride?
The IUPAC name of 2-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride (CID 140987273) is 2-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride.
What is the SMILES notation for 2-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride?
The canonical SMILES for 2-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride is Cl.NC(=O)c1cccc2ncc(=O)oc12.
What is the InChIKey of 2-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride?
The InChIKey is PYMZEIDFVAGHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3.ClH/c10-9(13)5-2-1-3-6-8(5)14-7(12)4-11-6;/h1-4H,(H2,10,13);1H.
What are the key properties of 2-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride?
2-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride has a molecular weight of 226.62 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride is sourced from PubChem (CID 140987273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).