methyl 3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate;hydrochloride

C10H12ClNO3 — CID 53302188

IUPACmethyl 3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate;hydrochloride
SMILESCOC(=O)c1cccc2c1OCCN2.Cl
InChIInChI=1S/C10H11NO3.ClH/c1-13-10(12)7-3-2-4-8-9(7)14-6-5-11-8;/h2-4,11H,5-6H2,1H3;1H
InChIKeyFEIWFQAVAJMOAG-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.70
Rot. Bonds1

About methyl 3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate;hydrochloride

methyl 3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate;hydrochloride (PubChem CID 53302188) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is methyl 3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate;hydrochloride
PubChem CID53302188
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Namemethyl 3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate;hydrochloride
SMILESCOC(=O)c1cccc2c1OCCN2.Cl
InChIInChI=1S/C10H11NO3.ClH/c1-13-10(12)7-3-2-4-8-9(7)14-6-5-11-8;/h2-4,11H,5-6H2,1H3;1H
InChIKeyFEIWFQAVAJMOAG-UHFFFAOYSA-N
XLogP1.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Metabutoxycaine
CID 19247
Metabutoxycaine hydrochloride
CID 3047773
4-Methyl-3,4-dihydro-2H-benzo[1,4]oxazine-8-carboxylic acid (1-butyl-pyrrolidin-2-ylmethyl)-amide
CID 19780185
Butyrophenone, 3'-amino-2'-(2-(diethylamino)ethoxy)-, dihydrochloride
CID 30290
(R)-4-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1-enyl)-N,N-dimethyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxamide
CID 45269458
Ethyl 3-[4-(2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-4-YL)-4-oxobutanamido]benzoate
CID 16016667
Streptomyceamide B
CID 91028654
10H-Phenoxazine-2-carboxylic acid methyl ester
CID 44268063
Benzoic acid, 5-amino-2-(3-piperidinopropoxy)-, ethyl ester, monohydrochloride
CID 57732
5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-(((3-(trifluoromethyl)phenyl)amino)methyl)-
CID 3043147
4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxylic acid
CID 10655404
methyl 3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
CID 16244461

Frequently Asked Questions

What is the IUPAC name of methyl 3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate;hydrochloride?
The IUPAC name of methyl 3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate;hydrochloride (CID 53302188) is methyl 3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate;hydrochloride?
The canonical SMILES for methyl 3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate;hydrochloride is COC(=O)c1cccc2c1OCCN2.Cl.
What is the InChIKey of methyl 3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate;hydrochloride?
The InChIKey is FEIWFQAVAJMOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3.ClH/c1-13-10(12)7-3-2-4-8-9(7)14-6-5-11-8;/h2-4,11H,5-6H2,1H3;1H.
What are the key properties of methyl 3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate;hydrochloride?
methyl 3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate;hydrochloride has a molecular weight of 229.66 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate;hydrochloride is sourced from PubChem (CID 53302188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).