6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid;hydrochloride

C10H11Cl2NO3 — CID 70042059

IUPAC6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid;hydrochloride
SMILESCN1CCOc2c(C(=O)O)cc(Cl)cc21.Cl
InChIInChI=1S/C10H10ClNO3.ClH/c1-12-2-3-15-9-7(10(13)14)4-6(11)5-8(9)12;/h4-5H,2-3H2,1H3,(H,13,14);1H
InChIKeyHQFNQSNMFSHBNG-UHFFFAOYSA-N
MW264.11 g/mol
LogP2.29
Rot. Bonds1

About 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid;hydrochloride

6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid;hydrochloride (PubChem CID 70042059) has the molecular formula C10H11Cl2NO3 and a molecular weight of 264.11 g/mol. Its IUPAC name is 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid;hydrochloride
PubChem CID70042059
Molecular FormulaC10H11Cl2NO3
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid;hydrochloride
SMILESCN1CCOc2c(C(=O)O)cc(Cl)cc21.Cl
InChIInChI=1S/C10H10ClNO3.ClH/c1-12-2-3-15-9-7(10(13)14)4-6(11)5-8(9)12;/h4-5H,2-3H2,1H3,(H,13,14);1H
InChIKeyHQFNQSNMFSHBNG-UHFFFAOYSA-N
XLogP2.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid;hydrochloride?
The IUPAC name of 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid;hydrochloride (CID 70042059) is 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid;hydrochloride?
The canonical SMILES for 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid;hydrochloride is CN1CCOc2c(C(=O)O)cc(Cl)cc21.Cl.
What is the InChIKey of 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid;hydrochloride?
The InChIKey is HQFNQSNMFSHBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3.ClH/c1-12-2-3-15-9-7(10(13)14)4-6(11)5-8(9)12;/h4-5H,2-3H2,1H3,(H,13,14);1H.
What are the key properties of 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid;hydrochloride?
6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid;hydrochloride has a molecular weight of 264.11 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid;hydrochloride is sourced from PubChem (CID 70042059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).