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

C9H9ClN2O2 — CID 70071096

IUPAC4H-1,2-benzoxazine-8-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc2c1ON=CC2
InChIInChI=1S/C9H8N2O2.ClH/c10-9(12)7-3-1-2-6-4-5-11-13-8(6)7;/h1-3,5H,4H2,(H2,10,12);1H
InChIKeyLZMFLBGESZXLOO-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.13
Rot. Bonds1

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

4H-1,2-benzoxazine-8-carboxamide;hydrochloride (PubChem CID 70071096) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 4H-1,2-benzoxazine-8-carboxamide;hydrochloride.

Molecular Properties

Compound Name4H-1,2-benzoxazine-8-carboxamide;hydrochloride
PubChem CID70071096
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name4H-1,2-benzoxazine-8-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc2c1ON=CC2
InChIInChI=1S/C9H8N2O2.ClH/c10-9(12)7-3-1-2-6-4-5-11-13-8(6)7;/h1-3,5H,4H2,(H2,10,12);1H
InChIKeyLZMFLBGESZXLOO-UHFFFAOYSA-N
XLogP1.13
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4H-1,2-benzoxazine-8-carboxamide;hydrochloride?
The IUPAC name of 4H-1,2-benzoxazine-8-carboxamide;hydrochloride (CID 70071096) is 4H-1,2-benzoxazine-8-carboxamide;hydrochloride.
What is the SMILES notation for 4H-1,2-benzoxazine-8-carboxamide;hydrochloride?
The canonical SMILES for 4H-1,2-benzoxazine-8-carboxamide;hydrochloride is Cl.NC(=O)c1cccc2c1ON=CC2.
What is the InChIKey of 4H-1,2-benzoxazine-8-carboxamide;hydrochloride?
The InChIKey is LZMFLBGESZXLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2.ClH/c10-9(12)7-3-1-2-6-4-5-11-13-8(6)7;/h1-3,5H,4H2,(H2,10,12);1H.
What are the key properties of 4H-1,2-benzoxazine-8-carboxamide;hydrochloride?
4H-1,2-benzoxazine-8-carboxamide;hydrochloride has a molecular weight of 212.64 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-1,2-benzoxazine-8-carboxamide;hydrochloride is sourced from PubChem (CID 70071096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).